Kendall N. Houk - Publications

Affiliations: 
University of California, Los Angeles, Los Angeles, CA 
Area:
theoretical and computational organic chemistry
Website:
http://www.chem.ucla.edu/houk/biography.htm

500 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Gao S, Duan M, Andreola LR, Yu P, Wheeler SE, Houk KN, Chen M. Unusual Enantiodivergence in Chiral Brønsted Acid-Catalyzed Asymmetric Allylation with β-Alkenyl Allylic Boronates. Angewandte Chemie (International Ed. in English). PMID 35989224 DOI: 10.1002/anie.202208908  0.763
2022 Murray KA, Evans D, Hughes MP, Sawaya MR, Hu CJ, Houk KN, Eisenberg D. Extended β-Strands Contribute to Reversible Amyloid Formation. Acs Nano. PMID 35132852 DOI: 10.1021/acsnano.1c08043  0.349
2022 Yahiaoui O, Murray LAM, Zhao F, Moore BS, Houk KN, Liu F, George JH. A Diazo-Hooker Reaction, Inspired by the Biosynthesis of Azamerone. Organic Letters. PMID 34994200 DOI: 10.1021/acs.orglett.1c03810  0.412
2021 Sato M, Kishimoto S, Yokoyama M, Jamieson CS, Narita K, Maeda N, Hara K, Hashimoto H, Tsunematsu Y, Houk KN, Tang Y, Watanabe K. Catalytic mechanism and -to- selectivity reversion of an octalin-forming natural Diels-Alderase. Nature Catalysis. 4: 223-232. PMID 35873532 DOI: 10.1038/s41929-021-00577-2  0.783
2021 Houk KN, Duan M, Díaz-Oviedo CD, Zhou Y, Chen X, Yu P, List B, Lan Y. Chiral Phosphoric Acid Catalyzed Conversion of Epoxides into Thiiranes: Mechanism, Stereochemical Model, and New Catalyst Design. Angewandte Chemie (International Ed. in English). PMID 34889494 DOI: 10.1002/anie.202113204  0.803
2021 Su J, Mo JN, Chen X, Umanzor A, Zhang Z, Houk KN, Zhao J. Generation of Oxyphosphonium Ions by Photoredox/Cobaloxime Catalysis for Scalable Amide and Peptide Synthesis in Batch and Continuous-Flow. Angewandte Chemie (International Ed. in English). PMID 34783121 DOI: 10.1002/anie.202112668  0.645
2021 Gao S, Duan M, Liu J, Yu P, Houk KN, Chen M. Stereochemical Control via Chirality Pairing: Stereodivergent Syntheses of Enantioenriched Homoallylic Alcohols. Angewandte Chemie (International Ed. in English). 60: 24096-24106. PMID 34608723 DOI: 10.1002/anie.202107004  0.627
2021 Solea AB, Wang S, Xue XS, Crochet A, Fromm KM, Houk KN, Mamula O, Allemann C. Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids. Organic & Biomolecular Chemistry. PMID 34477627 DOI: 10.1039/d1ob01343b  0.671
2021 Houk KN, Zhang H, Thøgersen MK, Jamieson CS, Xue XS, Jørgensen KA. Ambimodal Transition States in Diels-Alder Cycloadditions of Tropolone and Tropolonate with N-Methylmaleimide. Angewandte Chemie (International Ed. in English). PMID 34472178 DOI: 10.1002/anie.202109608  0.831
2021 Wang RB, Ma SG, Jamieson CS, Gao RM, Liu YB, Li Y, Wang XJ, Li YH, Houk KN, Qu J, Yu SS. Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity. Chemical Science. 12: 7003-7011. PMID 34123328 DOI: 10.1039/d1sc01277k  0.751
2021 Ramirez M, Svatunek D, Liu F, Garg NK, Houk KN. Origins of Endo Selectivity in Diels-Alder Reactions of Cyclic Allene Dienophiles. Angewandte Chemie (International Ed. in English). PMID 33851504 DOI: 10.1002/anie.202101809  0.718
2021 Ohashi M, Kakule TB, Tang MC, Jamieson CS, Liu M, Zhao YL, Houk KN, Tang Y. Biosynthesis of Cyclophane-Containing Hirsutellone Family of Fungal Natural Products. Journal of the American Chemical Society. PMID 33834778 DOI: 10.1021/jacs.1c00098  0.777
2021 Zheng YL, Pei-Pei X, Daneshfar O, Houk K, Hong X, Newman SG. Direct Synthesis of Ketones from Methyl Esters by Nickel-Catalyzed Suzuki-Miyaura Coupling. Angewandte Chemie (International Ed. in English). PMID 33792138 DOI: 10.1002/anie.202103327  0.311
2021 Chen PP, Ma P, He X, Svatunek D, Liu F, Houk KN. Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann's Paradigmatic Parabola. The Journal of Organic Chemistry. PMID 33769821 DOI: 10.1021/acs.joc.1c00239  0.701
2021 Ma J, Chen S, Bellotti P, Guo R, Schäfer F, Heusler A, Zhang X, Daniliuc C, Brown MK, Houk KN, Glorius F. Photochemical intermolecular dearomative cycloaddition of bicyclic azaarenes with alkenes. Science (New York, N.Y.). 371: 1338-1345. PMID 33766881 DOI: 10.1126/science.abg0720  0.373
2021 Svatunek D, Hansen T, Houk KN, Hamlin TA. How the Lewis Base F Catalyzes the 1,3-Dipolar Cycloaddition between Carbon Dioxide and Nitrilimines. The Journal of Organic Chemistry. PMID 33577314 DOI: 10.1021/acs.joc.0c02963  0.651
2021 Wang ZJ, Chen X, Wu L, Wong JJ, Liang Y, Zhao Y, Houk KN, Shi Z. Metal-Free Directed C-H Borylation of Pyrroles. Angewandte Chemie (International Ed. in English). PMID 33449421 DOI: 10.1002/anie.202016573  0.631
2021 Einsiedler M, Jamieson CS, Maskeri M, Houk KN, Gulder TAM. Fungal Dioxygenase AsqJ Is Promiscuous and Bimodal: Substrate-Directed Formation of Quinolones versus Quinazolinones. Angewandte Chemie (International Ed. in English). PMID 33411393 DOI: 10.1002/anie.202017086  0.799
2020 Wang D, Li M, Chen X, Wang M, Liang Y, Zhao Y, Houk KN, Shi Z. Palladium-Catalyzed Silacyclization of (Hetero)Arenes with a Tetrasilane Reagent through Twofold C-H Activation. Angewandte Chemie (International Ed. in English). PMID 33377224 DOI: 10.1002/anie.202015117  0.637
2020 Li B, Tang H, Turlik A, Wan Z, Xue XS, Li L, Yang X, Li J, He G, Houk KN, Chen G. Cooperative Stapling of Native Peptides at Lysine and Tyrosine or Arginine with Formaldehyde. Angewandte Chemie (International Ed. in English). PMID 33338303 DOI: 10.1002/anie.202016267  0.578
2020 Saha I, Dang EK, Svatunek D, Houk KN, Harran PG. Computational generation of an annotated gigalibrary of synthesizable, composite peptidic macrocycles. Proceedings of the National Academy of Sciences of the United States of America. PMID 32948694 DOI: 10.1073/Pnas.2007304117  0.679
2020 Lowder L, Zhao F, Vaughan MM, Houk KN, Liu F, Wu J. Diversification of Nucleophile-Intercepted Beckmann Fragmentation (NuBFr) Products and Related DFT Studies. The Journal of Organic Chemistry. PMID 32786611 DOI: 10.1021/Acs.Joc.0C01486  0.375
2020 Houk KN, Liu F, Yang Z, Seeman JI. Evolution of the Diels-Alder Reaction Mechanism Since the 1930s: Woodward, Houk with Woodward, and the Influence of Computational Chemistry on Understanding Cycloadditions. Angewandte Chemie (International Ed. in English). PMID 32662195 DOI: 10.1002/Anie.202001654  0.706
2020 Liepuoniute I, Sanders JN, Garcia-Garibay MA, Houk KN. Computational Investigation into Ligand Effects on Correlated Geared Dynamics in Dirhodium Supramolecular Gears - Insights Be-yond the NMR Experimental Window. The Journal of Organic Chemistry. PMID 32478513 DOI: 10.1021/Acs.Joc.0C01230  0.551
2020 Wang Y, Zhang C, Zhao YL, Zhao R, Houk KN. Understand the Specific Regio- and Enantioselectivity of Fluostatin Conjugation in the Post-Biosynthesis. Biomolecules. 10. PMID 32466453 DOI: 10.3390/biom10060815  0.566
2020 Houk KN, Liu F, Chen Y. Huisgen's 1,3-Dipolar Cycloadditions to Fulvenes via Ambimodal [6+4]/[4+2] Transition States. Angewandte Chemie (International Ed. in English). PMID 32384185 DOI: 10.1002/Anie.202005265  0.45
2020 Seeman JI, Chen PP, Houk KN. Rolf Huisgen's Classic Studies of Cyclic Triene Diels-Alder Reactions Elaborated by Modern Computational Analysis. Angewandte Chemie (International Ed. in English). PMID 32369676 DOI: 10.1002/Anie.202003279  0.48
2020 Bähr S, Brinkmann-Chen S, Garcia-Borràs M, Roberts JM, Katsoulis DE, Houk KN, Arnold FH. Selective Enzymatic Oxidation of Silanes to Silanols. Angewandte Chemie (International Ed. in English). PMID 32212229 DOI: 10.1002/Anie.202002861  0.332
2020 Xie S, Sundhoro M, Houk KN, Yan M. Electrophilic Azides for Materials Synthesis and Chemical Biology. Accounts of Chemical Research. PMID 32207916 DOI: 10.1021/Acs.Accounts.0C00046  0.338
2020 Athavale SV, Simon A, Houk KN, Denmark SE. Demystifying the asymmetry-amplifying, autocatalytic behaviour of the Soai reaction through structural, mechanistic and computational studies. Nature Chemistry. PMID 32203445 DOI: 10.1038/S41557-020-0421-8  0.438
2020 Gao S, Duan M, Houk K, Chen M. Chiral Phosphoric Acid Dual-Function Catalysis: Asymmetric Allylation with α-Vinyl Allylboron Reagents. Angewandte Chemie (International Ed. in English). PMID 32173972 DOI: 10.1002/Anie.202000039  0.362
2020 Shi H, Lu Y, Weng J, Bay KL, Chen X, Tanaka K, Verma P, Houk KN, Yu JQ. Differentiation and functionalization of remote C-H bonds in adjacent positions. Nature Chemistry. PMID 32123338 DOI: 10.1038/S41557-020-0424-5  0.791
2020 Svatunek D, Pemberton RP, Mackey JL, Liu P, Houk KN. Concerted [4+2] and Stepwise (2+2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations. The Journal of Organic Chemistry. PMID 32031811 DOI: 10.1021/Acs.Joc.0C00222  0.816
2020 Chen S, Wong J, Houk KN. Mechanism of the Manolikakes Enamide-Based Domino Reaction for the Stereospecific Construction of Tetrahydropyrans. The Journal of Organic Chemistry. PMID 32017561 DOI: 10.1021/Acs.Joc.9B03440  0.347
2020 Yu JQ, Fan Z, Bay KL, Chen X, Zhuang Z, Park HS, Yeung KS, Houk KN. Rational Development of Remote C-H Functionalization of Biphenyl: Experimental and Computational Studies. Angewandte Chemie (International Ed. in English). PMID 31943648 DOI: 10.1002/Anie.201915624  0.802
2020 Low ZJ, Ma GL, Tran HT, Zou Y, Xiong J, Pang L, Nuryyeva S, Ye H, Hu JF, Houk KN, Liang ZX. Sungeidines from a non-canonical enediyne biosynthetic pathway. Journal of the American Chemical Society. PMID 31922407 DOI: 10.1021/Jacs.9B10086  0.643
2020 Yan Y, Zang X, Jamieson CS, Lin H, Houk KN, Zhou J, Tang Y. Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance Chemical Science. 11: 9554-9562. DOI: 10.1039/D0Sc03805A  0.699
2020 Chen Y, Zhang X, Liu F, He G, Zhang J, Houk KN, Smith AB, Liang Y. The role of CuI in the siloxane-mediated Pd-catalyzed cross-coupling reactions of aryl iodides with aryl lithium reagents Chinese Chemical Letters. DOI: 10.1016/J.Cclet.2020.05.009  0.381
2020 Castro AC, Romero‐Rivera A, Osuna S, Houk KN, Swart M. Cover Feature: Computational NMR Spectra of o ‐Benzyne and Stable Guests and Their Hemicarceplexes (Chem. Eur. J. 12/2020) Chemistry – a European Journal. 26: 2517-2517. DOI: 10.1002/Chem.201905504  0.43
2019 Liu L, Shi T, Houk KN, Zhao YL. Understanding the R882H mutation effects of DNA methyltransferase DNMT3A: a combination of molecular dynamics simulations and QM/MM calculations. Rsc Advances. 9: 31425-31434. PMID 35527972 DOI: 10.1039/c9ra06791d  0.501
2019 Mu X, Axtell JC, Bernier NA, Kirlikovali KO, Jung D, Umanzor A, Qian K, Chen X, Bay KL, Kirollos M, Rheingold AL, Houk KN, Spokoyny AM. Sterically Unprotected Nucleophilic Boron Cluster Reagents. Chem. 5: 2461-2469. PMID 32292833 DOI: 10.1016/J.Chempr.2019.07.018  0.801
2019 He CQ, Lam CC, Yu P, Song Z, Chen M, Lam YH, Chen S, Houk KN. Catalytic Effects of Ammonium and Sulfonium Salts and External Electric Fields on Aza-Diels-Alder Reactions. The Journal of Organic Chemistry. PMID 31891501 DOI: 10.1021/Acs.Joc.9B03446  0.685
2019 McLeod D, Thøgersen MK, Jessen NI, Jørgensen KA, Jamieson CS, Xue XS, Houk KN, Liu F, Hoffmann R. Expanding the Frontiers of Higher-Order Cycloadditions. Accounts of Chemical Research. PMID 31789016 DOI: 10.1021/Acs.Accounts.9B00498  0.832
2019 Quintela-Varela H, Jamieson C, Shao Q, Houk K, Trauner D. Bioinspired Synthesis of (-)-PF-1018. Angewandte Chemie (International Ed. in English). PMID 31788926 DOI: 10.1002/Anie.201912452  0.807
2019 Castro A, Romero-Rivera A, Osuna S, Houk KN, Swart M. COMPUTATIONAL NMR SPECTRA OF o-BENZYNE AND STABLE GUESTS AND THEIR HEMICARCEPLEXES. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31765503 DOI: 10.1002/Chem.201904756  0.477
2019 Lv J, Chen X, Xue XS, Zhao B, Liang Y, Wang M, Jin L, Yuan Y, Han Y, Zhao Y, Lu Y, Zhao J, Sun WY, Houk KN, Shi Z. Metal-free directed sp-C-H borylation. Nature. 575: 336-340. PMID 31723273 DOI: 10.1038/S41586-019-1640-2  0.769
2019 Levandowski BJ, Svatunek D, Sohr B, Mikula H, Houk KN. Correction to "Secondary Orbital Interactions Enhance the Reactivity of Alkynes in Diels-Alder Cycloadditions". Journal of the American Chemical Society. 141: 18641. PMID 31692340 DOI: 10.1021/Jacs.9B11320  0.668
2019 Fu XP, Xue XS, Zhang XY, Xiao YL, Zhang S, Guo YL, Leng X, Houk KN, Zhang X. Controllable catalytic difluorocarbene transfer enables access to diversified fluoroalkylated arenes. Nature Chemistry. 11: 948-956. PMID 31548670 DOI: 10.1038/S41557-019-0331-9  0.647
2019 Dan Q, Newmister SA, Klas KR, Fraley AE, McAfoos TJ, Somoza AD, Sunderhaus JD, Ye Y, Shende VV, Yu F, Sanders JN, Brown WC, Zhao L, Paton RS, Houk KN, et al. Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nature Chemistry. PMID 31548667 DOI: 10.1038/S41557-019-0326-6  0.601
2019 Zheng H, Sang Y, Houk KN, Xue XS, Cheng JP. Mechanism and Origins of Enantioselectivities in Spirobiindane-based Hypervalent Iodine(III) Induced Asymmetric Dearomatizing Spirolactonizations. Journal of the American Chemical Society. PMID 31514501 DOI: 10.1021/Jacs.9B08243  0.645
2019 Duan A, Fell JS, Yu P, Lam CY, Gravel M, Houk KN. Theoretical Study of Diastereoselective NHC-Catalyzed Cross-Benzoin Reactions between Furfural and N-Boc-Protected α-Amino Aldehydes. The Journal of Organic Chemistry. PMID 31512872 DOI: 10.1021/Acs.Joc.9B01821  0.651
2019 Le Fouler V, Chen Y, Gandon V, Bizet V, Salome C, Fessard T, Liu F, Houk KN, Blanchard N. Activating pyrimidines by pre-distortion for the general synthesis of 7-aza-indazoles from 2-hydrazonylpyrimidines via intramolecular Diels-Alder reactions. Journal of the American Chemical Society. PMID 31475527 DOI: 10.1021/Jacs.9B07037  0.441
2019 Chen Q, Gao J, Jamieson C, Liu J, Ohashi M, Bai J, Yan D, Liu B, Che Y, Wang Y, Houk KN, Hu Y. Enzymatic Intermolecular Hetero-Diels-Alder Reaction in the Biosynthesis of Tropolonic Sesquiterpenes. Journal of the American Chemical Society. PMID 31461283 DOI: 10.1021/Jacs.9B06592  0.774
2019 Cai Y, Hai Y, Ohashi M, Jamieson CS, Garcia-Borras M, Houk KN, Zhou J, Tang Y. Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nature Chemistry. PMID 31332284 DOI: 10.2210/Pdb6Ix9/Pdb  0.807
2019 Zou Y, Chen S, Houk KN. Origins of Selective Formation of 5-Vinyl-2-Methylene Furans from Oxyallyl/Diene (3+2) Cycloadditions with Pd(0) Catalysis. Journal of the American Chemical Society. PMID 31328520 DOI: 10.1021/Jacs.9B05762  0.664
2019 Zou Y, Xue XS, Deng Y, Smith AB, Houk KN. Factors Controlling Reactivity in the Hydrogen Atom Transfer and Radical Addition Steps of a Radical Relay Cascade. Organic Letters. PMID 31305084 DOI: 10.1021/Acs.Orglett.9B02023  0.768
2019 Svatunek D, Houk KN. autoDIAS: a python tool for an automated distortion/interaction activation strain analysis. Journal of Computational Chemistry. PMID 31281990 DOI: 10.1002/Jcc.26023  0.653
2019 Machovina MM, Mallinson SJB, Knott BC, Meyers AW, Garcia-Borràs M, Bu L, Gado JE, Oliver A, Schmidt GP, Hinchen DJ, Crowley MF, Johnson CW, Neidle EL, Payne CM, Houk KN, et al. Enabling microbial syringol conversion through structure-guided protein engineering. Proceedings of the National Academy of Sciences of the United States of America. PMID 31235604 DOI: 10.1073/pnas.1820001116  0.333
2019 Moore LC, Lo A, Fell JS, Duong MR, Moreno JA, Rich BE, Bravo M, Fettinger JC, Souza LW, Olmstead MM, Houk KN, Shaw JT. Acyclic Stereocontrol in the Additions of Nucleophilic Alkenes to α-Chiral N-Sulfonyl Imines. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31226239 DOI: 10.1002/Chem.201902790  0.323
2019 Cai L, Zhang K, Chen S, Lepage RJ, Houk KN, Krenske EH, Kwon O. Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines. Journal of the American Chemical Society. PMID 31184143 DOI: 10.1021/Jacs.9B04803  0.651
2019 Liu K, Kurukulasuriya R, Dykstra K, DiMichelle L, Liu J, Vachal P, Ogawa A, DeVita RJ, Shen DM, Tan Q, Chen Y, Gauthier D, Verras A, Crespo A, Zamlynny B, ... ... Houk KN, et al. Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization. Bioorganic & Medicinal Chemistry Letters. PMID 31104995 DOI: 10.1016/J.Bmcl.2019.04.024  0.603
2019 Tu J, Svatunek D, Parvez S, Liu AC, Levandowski BJ, Eckvahl HJ, Peterson RT, Houk KN, Franzini RM. Stable, Reactive and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles. Angewandte Chemie (International Ed. in English). PMID 31062496 DOI: 10.1002/Anie.201903877  0.722
2019 Zhang Z, Jamieson CS, Zhao YL, Li D, Ohashi M, Houk KN, Tang Y. Enzyme-catalyzed inverse-electron demand Diels-Alder reaction in the biosynthesis of antifungal ilicicolin H. Journal of the American Chemical Society. PMID 30905148 DOI: 10.1021/Jacs.9B02204  0.809
2019 Zhang B, Wang KB, Wang W, Wang X, Liu F, Zhu J, Shi J, Li LY, Han H, Xu K, Qiao HY, Zhang X, Jiao RH, Houk KN, Liang Y, et al. Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products. Nature. PMID 30867595 DOI: 10.1038/S41586-019-1021-X  0.496
2019 Yamano M, Knapp R, Ngamnithiporn A, Ramirez M, Houk K, Stoltz B, Garg NK. Cycloadditions of Oxacyclic Allenes and a Catalytic Asym-metric Entryway to Enantioenriched Cyclic Allenes. Angewandte Chemie (International Ed. in English). PMID 30811080 DOI: 10.1002/Anie.201900503  0.382
2019 Deng Y, Nguyen MD, Zou Y, Houk KN, Smith AB. Generation of Dithianyl and Dioxolanyl Radicals Using Photoredox Catalysis: Application in the Total Synthesis of the Danshenspiroketallactones via Radical Relay Chemistry. Organic Letters. PMID 30807194 DOI: 10.1021/Acs.Orglett.9B00271  0.672
2019 Hamlin TA, Levandowski BJ, Narsaria AK, Houk KN, Bickelhaupt FM. Structural Distortion of Cycloalkynes Influences Cycloaddition Rates Both By Strain and Interaction Energies. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30779472 DOI: 10.1002/Chem.201900295  0.615
2019 Cleary SE, Li X, Yang LC, Houk KN, Hong X, Brewer M. Reactivity Profiles of Diazo Amides, Esters, and Ketones in Transition-Metal-Free C-H Insertion Reactions. Journal of the American Chemical Society. PMID 30758200 DOI: 10.1021/Jacs.8B12420  0.313
2019 Bertuzzi G, Thøgersen MK, Giardinetti M, Vidal-Albalat A, Simon A, Houk KN, Jørgensen KA. Catalytic Enantioselective Hetero-[6+4] and -[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles. Journal of the American Chemical Society. 141: 3288-3297. PMID 30746938 DOI: 10.1021/Jacs.8B13659  0.395
2019 Levandowski BJ, Svatunek D, Sohr B, Mikula H, Houk KN. Secondary Orbital Interactions Enhance the Reactivity of Alkynes in Diels-Alder Cycloadditions. Journal of the American Chemical Society. 141: 2224-2227. PMID 30693769 DOI: 10.1021/Jacs.8B13088  0.706
2019 Chen M, He CQ, Houk KN. Mechanism and Regioselectivity of an Unsymmetrical Hexadehydro-Diels-Alder (HDDA) Reaction. The Journal of Organic Chemistry. PMID 30672703 DOI: 10.1021/Acs.Joc.8B02865  0.433
2019 Yen-Pon E, Champagne PA, Plougastel L, Gabillet S, Thuery P, Johnson M, Muller G, Pieters G, Taran F, Houk KN, Audisio D. Sydnone-based Approach to Hetero-helicenes Through 1,3-Dipolar-Cycloadditions. Journal of the American Chemical Society. PMID 30628450 DOI: 10.1021/Jacs.8B11465  0.36
2019 Levandowski BJ, Hamlin TA, Eckvahl HJ, Bickelhaupt FM, Houk KN. Diels-Alder reactivities of cycloalkenediones with tetrazine. Journal of Molecular Modeling. 25: 33. PMID 30627945 DOI: 10.1007/S00894-018-3909-Z  0.578
2019 Xue XS, Jamieson CS, Garcia-Borràs M, Dong X, Yang Z, Houk KN. An Ambimodal Trispericyclic Transition State and Dynamic Control of Periselectivity. Journal of the American Chemical Society. PMID 30623652 DOI: 10.1021/Jacs.8B12674  0.814
2019 Tan D, Jamieson CS, Ohashi M, Tang MC, Houk KN, Tang Y. Genome-mined Diels-Alderase catalyzes formation of the cis-octahydrodecalins of varicidin A and B. Journal of the American Chemical Society. PMID 30609896 DOI: 10.1021/Jacs.8B12010  0.77
2019 Yang Z, Jamieson CS, Xue X, Garcia-Borràs M, Benton T, Dong X, Liu F, Houk K. Mechanisms and Dynamics of Reactions Involving Entropic Intermediates Trends in Chemistry. 1: 22-34. DOI: 10.1016/j.trechm.2019.01.009  0.814
2019 Lee GY, Bay KL, Houk KN. Evaluation of DFT Methods and Implicit Solvation Models for Anion‐Binding Host‐Guest Systems Helvetica Chimica Acta. 102. DOI: 10.1002/Hlca.201900032  0.756
2019 Hamlin TA, Levandowski BJ, Narsaria AK, Houk KN, Bickelhaupt FM. Cover Feature: Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies (Chem. Eur. J. 25/2019) Chemistry – a European Journal. 25: 6249-6249. DOI: 10.1002/Chem.201900867  0.56
2019 Tu J, Svatunek D, Parvez S, Liu AC, Levandowski BJ, Eckvahl HJ, Peterson RT, Houk KN, Franzini RM. Back Cover: Stable, Reactive, and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles (Angew. Chem. Int. Ed. 27/2019) Angewandte Chemie International Edition. 58: 9290-9290. DOI: 10.1002/Anie.201906875  0.661
2019 Tu J, Svatunek D, Parvez S, Liu AC, Levandowski BJ, Eckvahl HJ, Peterson RT, Houk KN, Franzini RM. Rücktitelbild: Stable, Reactive, and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles (Angew. Chem. 27/2019) Angewandte Chemie. 131: 9390-9390. DOI: 10.1002/Ange.201906875  0.661
2018 Caddell Haatveit K, Garcia-Borràs M, Houk KN. Computational Protocol to Understand P450 Mechanisms and Design of Efficient and Selective Biocatalysts. Frontiers in Chemistry. 6: 663. PMID 30687699 DOI: 10.3389/Fchem.2018.00663  0.369
2018 Fereyduni E, Sanders JN, Gonzalez G, Houk KN, Grenning AJ. Transient [3,3] Cope rearrangement of 3,3-dicyano-1,5-dienes: computational analysis and 2-step synthesis of arylcycloheptanes. Chemical Science. 9: 8760-8764. PMID 30627397 DOI: 10.1039/C8Sc03057J  0.352
2018 Suh SE, Chen S, Houk KN, Chenoweth DM. The mechanism of the triple aryne-tetrazine reaction cascade: theory and experiment. Chemical Science. 9: 7688-7693. PMID 30542547 DOI: 10.1039/C8Sc01796D  0.36
2018 Shao Z, Liu W, Tao H, Liu F, Zeng R, Champagne PA, Cao Y, Houk KN, Liang Y. Bioorthogonal release of sulfonamides and mutually orthogonal liberation of two drugs. Chemical Communications (Cambridge, England). PMID 30480281 DOI: 10.1039/C8Cc08533A  0.31
2018 Chen S, Yu P, Houk KN. Ambimodal Dipolar/Diels-Alder Cycloaddition Transition States Involving Proton Transfers. Journal of the American Chemical Society. PMID 30479123 DOI: 10.1021/Jacs.8B11080  0.667
2018 Bay KL, Yang YF, Houk KN. Computational Exploration of a Pd(II)-Catalyzed γ-C-H Arylation where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions. The Journal of Organic Chemistry. PMID 30403854 DOI: 10.1021/acs.joc.8b02416  0.796
2018 Levandowski BJ, Zou L, Houk KN. Hyperconjugative Aromaticity and Antiaromaticity Control the Reactivities and π-Facial Stereoselectivities of 5-Substituted Cyclopentadiene Diels-Alder Cycloadditions. The Journal of Organic Chemistry. PMID 30395708 DOI: 10.1021/Acs.Joc.8B02537  0.597
2018 Shi Z, Wang D, Xue XS, Houk K. Mild Ring-Opening 1,3-Hydroborations of Non-Activated Cyclopropanes. Angewandte Chemie (International Ed. in English). PMID 30370972 DOI: 10.1002/Anie.201811036  0.691
2018 Zhou B, Haj MK, Jacobsen EN, Houk KN, Xue XS. Mechanism and Origins of Chemo- and Stereoselectivities of Aryl Iodide-Catalyzed Asymmetric Difluorinations of β-Substituted Styrenes. Journal of the American Chemical Society. PMID 30350956 DOI: 10.1021/Jacs.8B05935  0.665
2018 Jamieson CS, Ohashi M, Liu F, Tang Y, Houk KN. The expanding world of biosynthetic pericyclases: cooperation of experiment and theory for discovery. Natural Product Reports. PMID 30311924 DOI: 10.1039/C8Np00075A  0.789
2018 Haines BE, Nelson BM, Grandner JM, Kim J, Houk KN, Movassaghi M, Musaev DG. Mechanism of Permanganate-Promoted Dihydroxylation of Complex Diketopiperazines: Critical Roles of Counter-cation and Ion-Pairing. Journal of the American Chemical Society. PMID 30295476 DOI: 10.1021/Jacs.8B08371  0.713
2018 Yu P, He CQ, Simon A, Li W, Mose R, Thøgersen MK, Jørgensen KA, Houk KN. Organocatalytic 6+4 Cycloadditions via Zwitterionic Intermediates: Chemo-, Regio-, and Stereoselectivities. Journal of the American Chemical Society. PMID 30251535 DOI: 10.1021/Jacs.8B07575  0.703
2018 Xue XS, Levandowski BJ, He CQ, Houk KN. Origins of Selectivities in the Stork Diels-Alder Cycloaddition for the Synthesis of (±)-4-Methylenegermine. Organic Letters. PMID 30246539 DOI: 10.1021/acs.orglett.8b02548  0.61
2018 Zhang J, Yu P, Li SY, Sun H, Xiang SH, Wang JJ, Houk KN, Tan B. Asymmetric phosphoric acid-catalyzed four-component Ugi reaction. Science (New York, N.Y.). 361. PMID 30213886 DOI: 10.1126/Science.Aas8707  0.718
2018 Popov S, Shao B, Bagdasarian AL, Benton TR, Zou L, Yang Z, Houk KN, Nelson HM. Teaching an old carbocation new tricks: Intermolecular C-H insertion reactions of vinyl cations. Science (New York, N.Y.). 361: 381-387. PMID 30049877 DOI: 10.1126/science.aat5440  0.676
2018 Li G, Garcia-Borràs M, Fürst MJLJ, Ilie A, Fraaije MW, Houk KN, Reetz MT. Overriding Traditional Electronic Effects in Biocatalytic Baeyer-Villiger Reactions by Directed Evolution. Journal of the American Chemical Society. PMID 30044629 DOI: 10.1021/Jacs.8B04742  0.324
2018 Kishimoto S, Hara K, Hashimoto H, Hirayama Y, Champagne PA, Houk KN, Tang Y, Watanabe K. Enzymatic one-step ring contraction for quinolone biosynthesis. Nature Communications. 9: 2826. PMID 30026518 DOI: 10.1038/S41467-018-05221-5  0.43
2018 Mallinson SJB, Machovina MM, Silveira RL, Garcia-Borràs M, Gallup N, Johnson CW, Allen MD, Skaf MS, Crowley MF, Neidle EL, Houk KN, Beckham GT, DuBois JL, McGeehan JE. A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nature Communications. 9: 2487. PMID 29950589 DOI: 10.1038/S41467-018-04878-2  0.319
2018 Lewis RD, Garcia-Borràs M, Chalkley MJ, Buller AR, Houk KN, Kan SBJ, Arnold FH. Catalytic iron-carbene intermediate revealed in a cytochrome carbene transferase. Proceedings of the National Academy of Sciences of the United States of America. PMID 29946033 DOI: 10.1073/Pnas.1807027115  0.356
2018 Gao SS, Zhang T, Garcia-Borràs M, Hung YS, Billingsley JM, Houk KN, Hu Y, Tang Y. Biosynthesis of Heptacyclic Duclauxins Requires Extensive Redox Modifications of the Phenalenone Aromatic Polyketide. Journal of the American Chemical Society. PMID 29741874 DOI: 10.1021/Jacs.8B03705  0.413
2018 Maiga-Wandiam B, Corbu A, Massiot G, Sautel F, Yu P, Lin BW, Houk KN, Cossy J. Intramolecular Diels-Alder approaches to the decalin core of verongidolide. The origin of the exo-selectivity: a DFT analysis. The Journal of Organic Chemistry. PMID 29715016 DOI: 10.1021/Acs.Joc.8B00566  0.694
2018 Scholl K, Dillashaw J, Timpy E, Lam YH, DeRatt L, Benton TR, Powell JP, Houk KN, Morgan JB. Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition State Conformation. The Journal of Organic Chemistry. PMID 29715015 DOI: 10.1021/Acs.Joc.8B00938  0.459
2018 Tao H, Liu F, Zeng R, Shao Z, Zou L, Cao Y, Murphy JM, Houk KN, Liang Y. Origins of halogen effects in bioorthogonal sydnone cycloadditions. Chemical Communications (Cambridge, England). PMID 29707720 DOI: 10.1039/C8Cc02128G  0.573
2018 Goh SS, Champagne PA, Guduguntla S, Kikuchi T, Fujita M, Houk KN, Feringa BL. Stereospecific ring contraction of bromocycloheptenes through dyotropic rearrangements via non-classical carbocation-anion pairs. Journal of the American Chemical Society. PMID 29596748 DOI: 10.1021/Jacs.8B00821  0.353
2018 Chen S, Zheng Y, Cui T, Meggers E, Houk KN. Arylketone π-Conjugation Controls Enantioselectivity in Asymmetric Alkynylations Catalyzed by Centrochiral Ruthenium Complexes. Journal of the American Chemical Society. PMID 29577723 DOI: 10.1021/Jacs.8B00485  0.335
2018 Yang Z, Houk KN. The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van 't Hoff. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29512895 DOI: 10.1002/chem.201706032  0.62
2018 Guan J, Jia C, Li Y, Liu Z, Wang J, Yang Z, Gu C, Su D, Houk KN, Zhang D, Guo X. Direct single-molecule dynamic detection of chemical reactions. Science Advances. 4: eaar2177. PMID 29487914 DOI: 10.1126/Sciadv.Aar2177  0.661
2018 Levandowski BJ, Hamlin TA, Helgeson RC, Bickelhaupt FM, Houk KN. Origins of the Endo and Exo Selectivities in Cyclopropenone, Iminocyclopropene, and Triafulvene Diels-Alder Cycloadditions. The Journal of Organic Chemistry. PMID 29470085 DOI: 10.1021/Acs.Joc.8B00025  0.668
2018 Wang X, Li Y, Knecht T, Daniliuc C, Houk K, Glorius F. Unprecedented Dearomatized Spirocyclopropane in a Sequential Rh(III)-catalyzed C-H Activation and Rearrangement Reaction. Angewandte Chemie (International Ed. in English). PMID 29461648 DOI: 10.1002/Anie.201800803  0.317
2018 Chen S, Houk KN. Origins of Stereoselectivity in Mannich Reactions Catalyzed by Chiral Vicinal Diamines. The Journal of Organic Chemistry. PMID 29439564 DOI: 10.1021/Acs.Joc.8B00037  0.451
2018 Yang Z, Dong X, Yu Y, Yu P, Li Y, Jamieson C, Houk KN. Relationships Between Product Ratios in Ambimodal Pericyclic Reactions and Bond Lengths in Transition Structures. Journal of the American Chemical Society. PMID 29419295 DOI: 10.1021/Jacs.7B13562  0.808
2018 Levandowski BJ, Herath D, Gallup NM, Houk KN. Origin of π-Facial Stereoselectivity in Thiophene 1-oxide Cycloadditions. The Journal of Organic Chemistry. PMID 29360357 DOI: 10.1021/Acs.Joc.7B03016  0.36
2018 Yang Z, Yang S, Yu P, Li Y, Doubleday C, Park J, Patel A, Jeon BS, Russell WK, Liu HW, Russell DH, Houk KN. Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition. Proceedings of the National Academy of Sciences of the United States of America. PMID 29348209 DOI: 10.1073/Pnas.1719368115  0.818
2018 Yu Y, Yang Z, Houk KN. Molecular dynamics of the intramolecular 1, 3-dipolar ene reaction of a nitrile oxide and an alkene: non-statistical behavior of a reaction involving a diradical intermediate Molecular Physics. 117: 1360-1366. DOI: 10.1080/00268976.2018.1549338  0.648
2018 Luo S, Engle KM, Dong X, Hejl A, Takase MK, Henling LM, Liu P, Houk KN, Grubbs RH. An Initiation Kinetics Prediction Model Enables Rational Design of Ruthenium Olefin Metathesis Catalysts Bearing Modified Chelating Benzylidenes Acs Catalysis. 8: 4600-4611. DOI: 10.1021/acscatal.8b00843  0.548
2018 Yang Z, Zou L, Yu Y, Liu F, Dong X, Houk K. Molecular dynamics of the two-stage mechanism of cyclopentadiene dimerization: concerted or stepwise? Chemical Physics. 514: 120-125. DOI: 10.1016/j.chemphys.2018.02.020  0.555
2018 Houk KN, Caserio MC, Whitesides GM, Schuster DI, Dervan PB, Dougherty DA. J. D. Roberts Special Issue Journal of Physical Organic Chemistry. 31: e3886. DOI: 10.1002/Poc.3886  0.336
2018 Yang Z, Houk KN. Frontispiece: The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van ’t Hoff Chemistry - a European Journal. 24. DOI: 10.1002/chem.201881661  0.623
2017 Vogelsberg CS, Uribe-Romo FJ, Lipton AS, Yang S, Houk KN, Brown S, Garcia-Garibay MA. Ultrafast rotation in an amphidynamic crystalline metal organic framework. Proceedings of the National Academy of Sciences of the United States of America. PMID 29229859 DOI: 10.1073/Pnas.1708817115  0.545
2017 Hill DE, Bay KL, Yang YF, Plata RE, Takise R, Houk KN, Yu JQ, Blackmond DG. Dynamic Ligand Exchange as a Mechanistic Probe in Pd-Catalyzed Enantioselective C-H Functionalization Reactions Using Monoprotected Amino Acid Ligands. Journal of the American Chemical Society. PMID 29215885 DOI: 10.1021/Jacs.7B11962  0.801
2017 Yang YF, Yu P, Houk KN. Computational Exploration of Concerted and Zwitterionic Mechanisms of Diels-Alder Reactions between 1,2,3-Triazines and Enamines and Acceleration by Hydrogen-Bonding Solvents. Journal of the American Chemical Society. PMID 29161031 DOI: 10.1021/Jacs.7B08325  0.722
2017 Chen S, Huang X, Meggers E, Houk KN. Origins of Enantioselectivity in Asymmetric Radical Additions to Octahedral Chiral-at-Rhodium Enolates: A Computational Study. Journal of the American Chemical Society. PMID 29143527 DOI: 10.1021/Jacs.7B08650  0.398
2017 Kerisit N, Gawel P, Levandowski B, Yang YF, García-López V, Trapp N, Ruhlmann L, Boudon C, Houk KN, Diederich F. A Four-Step Synthesis of Substituted 5,11-Dicyano-6,12-diaryltetracenes with Enhanced Stability and High Fluorescence Emission. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29139153 DOI: 10.1002/Chem.201703903  0.519
2017 Noey EL, Yang Z, Li Y, Yu H, Richey RN, Merritt JM, Kjell DP, Houk KN. Correction to Origins of Regioselectivity in the Fischer Indole Synthesis of a Selective Androgen Receptor Modulator. The Journal of Organic Chemistry. PMID 29072838 DOI: 10.1021/Acs.Joc.7B02416  0.768
2017 Liu F, Yang Z, Yu Y, Mei Y, Houk KN. Bimodal Evans-Polanyi Relationships in Dioxirane Oxidations of sp3 C-H: Non-Perfect Synchronization in Generation of Delocalized Radical Intermediates. Journal of the American Chemical Society. PMID 29069541 DOI: 10.1021/Jacs.7B07988  0.666
2017 Simmons BJ, Hoffmann M, Champagne PA, Picazo E, Yamakawa K, Morrill LA, Houk KN, Garg NK. Understanding and Interrupting the Fischer Azaindolization Reaction. Journal of the American Chemical Society. PMID 29022706 DOI: 10.1021/Jacs.7B07518  0.344
2017 Lin JB, Jin Y, Lopez SA, Druckerman N, Wheeler SE, Houk KN. Torsional Barriers to Rotation and Planarization in Heterocyclic Oligomers of Value in Organic Electronics. Journal of Chemical Theory and Computation. PMID 29016124 DOI: 10.1021/Acs.Jctc.7B00709  0.733
2017 He CQ, Yu P, Lam YH, Houk KN. Origins of Stereoselectivity in Chiral Aminoalcohol Catalysis of Oxyallyl Cation-Indole Reactions. Organic Letters. PMID 28976202 DOI: 10.1021/Acs.Orglett.7B02851  0.681
2017 Ohashi M, Liu F, Hai Y, Chen M, Tang MC, Yang Z, Sato M, Watanabe K, Houk KN, Tang Y. SAM-dependent enzyme-catalysed pericyclic reactions in natural product biosynthesis. Nature. PMID 28902839 DOI: 10.1038/Nature23882  0.726
2017 Champagne PA, Houk KN. The Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloaddition Reactivities of Mesoionic Azomethine Ylides and Imines. The Journal of Organic Chemistry. PMID 28876936 DOI: 10.1021/Acs.Joc.7B01928  0.364
2017 Liu F, Liang Y, Houk KN. Bioorthogonal Cycloadditions: Computational Analysis with the Distortion/Interaction Model and Predictions of Reactivities. Accounts of Chemical Research. PMID 28876890 DOI: 10.1021/Acs.Accounts.7B00265  0.399
2017 Grandner JM, Shao H, Grubbs RH, Liu P, Houk KN. The Origins of the Stereoretentive Mechanism of Olefin Metathesis with Ru-Dithiolate Catalysts. The Journal of Organic Chemistry. PMID 28841319 DOI: 10.1021/Acs.Joc.7B02129  0.632
2017 Zhang S, Taylor BLH, Ji CL, Gao Y, Harris MR, Hanna LE, Jarvo ER, Houk KN, Hong X. Mechanism and Origins of Ligand-controlled Stereoselectivity of Ni-Catalyzed Suzuki-Miyaura Coupling with Benzylic Esters: A Computational Study. Journal of the American Chemical Society. PMID 28838241 DOI: 10.1021/Jacs.7B04973  0.665
2017 Koch AA, Hansen DA, Shende VV, Furan LR, Houk KN, Jiménez-Osés G, Sherman DH. A single active site mutation in the pikromycin thioesterase generates a more effective macrocyclization catalyst. Journal of the American Chemical Society. PMID 28836768 DOI: 10.1021/Jacs.7B06436  0.662
2017 Park J, Chun S, Bobik TA, Houk KN, Yeates TO. Molecular Dynamics Simulations of Selective Metabolite Transport across the Propanediol Bacterial Microcompartment Shell. The Journal of Physical Chemistry. B. PMID 28829618 DOI: 10.1021/Acs.Jpcb.7B07232  0.59
2017 Fell JS, Lopez SA, Higginson CJ, Finn MG, Houk KN. Theoretical Analysis of the Retro-Diels-Alder Reactivity of Oxanorbornadiene Thiol and Amine Adducts. Organic Letters. PMID 28817292 DOI: 10.1021/Acs.Orglett.7B02064  0.707
2017 Fraley AE, Garcia-Borràs M, Tripathi A, Khare D, Mercado-Marin EV, Tran H, Dan Q, Webb G, Watts K, Crews P, Sarpong R, Williams RM, Smith JL, Houk KN, Sherman DH. Function and structure of MalA/MalA', iterative halogenases for late-stage C-H functionalization of indole alkaloids. Journal of the American Chemical Society. PMID 28777910 DOI: 10.1021/Jacs.7B06773  0.371
2017 Gao Y, Houk KN, Ho CY, Hong X. The mechanism and regioselectivities of (NHC)nickel(ii)hydride-catalyzed cycloisomerization of dienes: a computational study. Organic & Biomolecular Chemistry. PMID 28749518 DOI: 10.1039/C7Ob01494E  0.324
2017 He CQ, Simon A, Lam YH, Brunskill APJ, Yasuda N, Tan J, Hyde AM, Sherer EC, Houk KN. A Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by bis-Quaternized Cinchona Alkaloid-Derived Catalysts. The Journal of Organic Chemistry. PMID 28731701 DOI: 10.1021/Acs.Joc.7B01577  0.342
2017 Levandowski BJ, Hamlin TA, Bickelhaupt FM, Houk KN. The Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes. The Journal of Organic Chemistry. PMID 28712288 DOI: 10.1021/Acs.Joc.7B01673  0.611
2017 Zhou CC, Hawthorne MF, Houk KN, Jiménez-Osés G. Multiple Mechanisms for the Thermal Decompositions of Metallaisoxazolin-5-ones from Computational Investigations. The Journal of Organic Chemistry. PMID 28703581 DOI: 10.1021/Acs.Joc.7B01169  0.656
2017 Zhao J, Brosmer JL, Tang Q, Yang Z, Houk KN, Diaconescu PL, Kwon O. Intramolecular Crossed [2 + 2] Photocycloaddition Through Visible Light-Induced Energy Transfer. Journal of the American Chemical Society. PMID 28683547 DOI: 10.1021/Jacs.7B05277  0.632
2017 Simon A, Lam YH, Houk KN. Origins of Stereoselectivity of Enamine-Iminium Activated Nazarov Cyclizations by Vicinal Diamines. The Journal of Organic Chemistry. PMID 28678495 DOI: 10.1021/acs.joc.7b01606  0.309
2017 Yang YF, Chen G, Hong X, Yu JQ, Houk KN. The Origins of Dramatic Differences in 5-Membered vs. 6-Membered Chelation of Pd(II) on Efficiency of C(sp(3))-H Bond Activation. Journal of the American Chemical Society. PMID 28578572 DOI: 10.1021/Jacs.7B01801  0.322
2017 Grayson MN, Yang Z, Houk KN. Chronology of CH···O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde. Journal of the American Chemical Society. PMID 28556660 DOI: 10.1021/jacs.7b03847  0.613
2017 Yu P, Chen TQ, Yang Z, He CQ, Patel A, Lam YH, Liu CY, Houk KN. Mechanisms and Origins of Periselectivity of the Ambimodal [6+4] Cycloadditions of Tropone to Dimethylfulvene. Journal of the American Chemical Society. PMID 28535677 DOI: 10.1021/Jacs.7B02966  0.785
2017 Yu P, Li W, Houk KN. Mechanisms and Origins of Selectivities of the Lewis Acid-Catalyzed Diels-Alder Reactions between Aryl Allenes and Acrylates. The Journal of Organic Chemistry. PMID 28510451 DOI: 10.1021/Acs.Joc.7B01132  0.727
2017 Li Y, Shan C, Yang YF, Shi FQ, Qi X, Houk KN, Lan Y. Mechanism, Regio-, and Diastereoselectivity of Rh(III)-catalyzed Cyclization Reactions of N-Arylnitrones with Alkynes: A DFT Study. The Journal of Physical Chemistry. A. PMID 28488866 DOI: 10.1021/Acs.Jpca.7B01020  0.723
2017 Noey EL, Yang Z, Li Y, Yu H, Richey RN, Merritt JM, Kjell DP, Houk KN. Origins of regioselectivity in the Fischer indole synthesis of a selective androgen receptor modulator. The Journal of Organic Chemistry. PMID 28467062 DOI: 10.1021/Acs.Joc.7B00878  0.818
2017 Banerjee S, Yang YF, Jenkins ID, Liang Y, Toutov AA, Liu WB, Schuman DP, Grubbs RH, Stoltz BM, Krenske EH, Houk KN, Zare RN. Ionic and Neutral Mechanisms for C-H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium t-Butoxide. Journal of the American Chemical Society. PMID 28462580 DOI: 10.1021/Jacs.6B13032  0.648
2017 Han X, Park J, Wu W, Malagon A, Wang L, Vargas E, Wikramanayake A, Houk KN, Leblanc RM. A resorcinarene for inhibition of Aβ fibrillation. Chemical Science. 8: 2003-2009. PMID 28451317 DOI: 10.1039/C6Sc04854D  0.506
2017 Bickelhaupt FM, Houk KN. Distortion/Interaction-Activation Strain Model to Analyze Reaction Rates. Angewandte Chemie (International Ed. in English). PMID 28447369 DOI: 10.1002/Anie.201701486  0.627
2017 Ugur Marion I, Agopcan Cinar S, Dedeoglu B, Aviyente V, Hawthorne MF, Liu P, Liu F, Houk KN, Jiménez-Osés G. 1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides. The Journal of Organic Chemistry. PMID 28414468 DOI: 10.1021/Acs.Joc.7B00282  0.725
2017 Boon BA, Green AG, Liu P, Houk KN, Merlic CA. Using Ring Strain to Control 4π-Electrocyclization Reactions: Torquoselectivity in Ring-Closing of Medium-Ring Dienes and Ring-Opening of Bicyclic Cyclobutenes. The Journal of Organic Chemistry. PMID 28407711 DOI: 10.1021/Acs.Joc.7B00203  0.447
2017 Li Y, He CQ, Gao FX, Li Z, Xue XS, Li X, Houk KN, Cheng JP. Design and Applications of N-tert-Butyl Sulfinyl Squaramide Catalysts. Organic Letters. PMID 28357868 DOI: 10.1021/Acs.Orglett.7B00727  0.588
2017 Al-Bataineh N, Houk KN, Brewer M, Hong X. (2 + 1)-Cycloaddition Reactions Give Further Evidence of the Nitrenium-like Character of 1-Aza-2-azoniaallene Salts. The Journal of Organic Chemistry. PMID 28318256 DOI: 10.1021/Acs.Joc.7B00407  0.334
2017 Gao SS, Garcia-Borràs M, Barber JS, Hai Y, Duan A, Garg NK, Houk KN, Tang Y. Enzyme-Catalyzed Intramolecular Enantioselective Hydroalkoxylation. Journal of the American Chemical Society. PMID 28240554 DOI: 10.1021/Jacs.7B01089  0.471
2017 Fell JS, Martin BN, Houk KN. Origins of the unfavorable activation and reaction energies of 1-azadiene heterocycles compared to 2-azadiene heterocycles in Diels-Alder reactions. The Journal of Organic Chemistry. PMID 28150495 DOI: 10.1021/acs.joc.6b02524  0.305
2017 Zou Y, Garcia-Borràs M, Tang MC, Hirayama Y, Li DH, Li L, Watanabe K, Houk KN, Tang Y. Enzyme-catalyzed cationic epoxide rearrangements in quinolone alkaloid biosynthesis. Nature Chemical Biology. PMID 28114276 DOI: 10.1038/Nchembio.2283  0.42
2017 Duan A, Yu P, Liu F, Qiu H, Gu FL, Doyle MP, Houk KN. Diazo Esters as Dienophiles in Intramolecular (4+2) Cycloadditions: Computational Explorations of Mechanism. Journal of the American Chemical Society. PMID 28095697 DOI: 10.1021/Jacs.6B12371  0.725
2017 Cherniawski BP, Lopez SA, Burnett EK, Yavuz I, Zhang L, Parkin SR, Houk KN, Briseno AL. The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes Journal of Materials Chemistry C. 5: 582-588. DOI: 10.1039/C6Tc04612F  0.646
2017 Toutov AA, Salata M, Fedorov A, Yang Y, Liang Y, Cariou R, Betz KN, Couzijn EPA, Shabaker JW, Houk KN, Grubbs RH. A potassium tert-butoxide and hydrosilane system for ultra-deep desulfurization of fuels Nature Energy. 2. DOI: 10.1038/Nenergy.2017.8  0.335
2017 Maji R, Champagne PA, Houk KN, Wheeler SE. Activation Mode and Origin of Selectivity in Chiral Phosphoric Acid-Catalyzed Oxacycle Formation by Intramolecular Oxetane Desymmetrizations Acs Catalysis. 7: 7332-7339. DOI: 10.1021/Acscatal.7B02993  0.806
2017 Bickelhaupt FM, Houk KN. Inside Cover: Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model (Angew. Chem. Int. Ed. 34/2017) Angewandte Chemie International Edition. 56: 10002-10002. DOI: 10.1002/Anie.201707253  0.515
2017 Bickelhaupt FM, Houk KN. Innentitelbild: Das Distortion/Interaction-Activation-Strain-Modell zur Analyse von Reaktionsgeschwindigkeiten (Angew. Chem. 34/2017) Angewandte Chemie. 129: 10134-10134. DOI: 10.1002/Ange.201707253  0.442
2017 Bickelhaupt FM, Houk KN. Das Distortion/Interaction-Activation-Strain-Modell zur Analyse von Reaktionsgeschwindigkeiten Angewandte Chemie. 129: 10204-10221. DOI: 10.1002/Ange.201701486  0.547
2016 Narayanam MK, Liang Y, Houk KN, Murphy JM. Discovery of new mutually orthogonal bioorthogonal cycloaddition pairs through computational screening. Chemical Science. 7: 1257-1261. PMID 29910881 DOI: 10.1039/C5Sc03259H  0.341
2016 Grandner JM, Cacho RA, Tang Y, Houk KN. Mechanism of the P450-Catalyzed Oxidative Cyclization in the Biosynthesis of Griseofulvin. Acs Catalysis. 6: 4506-4511. PMID 28503354 DOI: 10.1021/acscatal.6b01068  0.383
2016 Ben Halima T, Zhang W, Yalaoui I, Hong X, Yang YF, Houk KN, Newman SG. Palladium-Catalyzed Suzuki-Miyaura Coupling of Aryl Esters. Journal of the American Chemical Society. PMID 28001393 DOI: 10.1021/Jacs.6B12329  0.419
2016 Simon A, Yeh AJ, Lam YH, Houk KN. Origins of Stereoselectivity of Chiral Vicinal Diamine-Catalyzed Aldol Reactions. The Journal of Organic Chemistry. 81: 12408-12415. PMID 27978746 DOI: 10.1021/acs.joc.6b02542  0.382
2016 Levandowski BJ, Houk KN. Hyperconjugative, Secondary Orbital, Electrostatic, and Steric Effects on the Reactivities and Endo and Exo Stereoselectivities of Cyclopropene Diels-Alder Reactions. Journal of the American Chemical Society. 138: 16731-16736. PMID 27977194 DOI: 10.1021/jacs.6b10463  0.327
2016 Krenske EH, Petter RC, Houk KN. Kinetics and Thermodynamics of Reversible Thiol Additions to Mono- and Diactivated Michael Acceptors: Implications for the Design of Drugs That Bind Covalently to Cysteines. The Journal of Organic Chemistry. 81: 11726-11733. PMID 27934455 DOI: 10.1021/Acs.Joc.6B02188  0.66
2016 Simon RC, Busto E, Richter N, Resch V, Houk KN, Kroutil W. Biocatalytic trifluoromethylation of unprotected phenols. Nature Communications. 7: 13323. PMID 27834376 DOI: 10.1038/Ncomms13323  0.331
2016 Garcia-Borràs M, Konishi A, Waterloo A, Liang Y, Cao Y, Hetzer C, Lehnherr D, Hampel F, Houk KN, Tykwinski RR. Tautomerization and Dimerization of 6,13-Disubstituted Derivatives of Pentacene. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27786375 DOI: 10.1002/Chem.201604099  0.353
2016 Gonzalez JA, Ogba OM, Morehouse GF, Rosson N, Houk KN, Leach AG, Cheong PH, Burke MD, Lloyd-Jones GC. MIDA boronates are hydrolysed fast and slow by two different mechanisms. Nature Chemistry. 8: 1067-1075. PMID 27768100 DOI: 10.1038/Nchem.2571  0.727
2016 Li Z, Bally T, Houk KN, Borden WT. Variations in Rotational Barriers of Allyl and Benzyl Cations, Anions, and Radicals. The Journal of Organic Chemistry. PMID 27690443 DOI: 10.1021/Acs.Joc.6B01530  0.327
2016 Yu X, Liu F, Zou Y, Tang MC, Hang L, Houk KN, Tang Y. Biosynthesis of Strained Piperazine Alkaloids - Uncovering the Concise Pathway of Herquline A. Journal of the American Chemical Society. PMID 27690412 DOI: 10.1021/Jacs.6B09464  0.418
2016 Luo SX, Cannon JS, Taylor BL, Engle KM, Houk KN, Grubbs RH. Z-Selective Cross-Metathesis and Homodimerization of 3E-1,3-Dienes: Reaction Optimization, Computational Analysis, and Synthetic Applications. Journal of the American Chemical Society. PMID 27689541 DOI: 10.1021/Jacs.6B08387  0.742
2016 Zargari N, Winter P, Liang Y, Lee JH, Cooksy A, Houk KN, Jung KW. An Unexpected, Latent Radical Reaction of Methane Propagated by Trifluoromethyl Radicals. The Journal of Organic Chemistry. PMID 27685006 DOI: 10.1021/Acs.Joc.6B01903  0.407
2016 Jung ME, Sun DL, Dwight TA, Yu P, Li W, Houk KN. Synthesis of 2-Ethenylcyclopropyl Aryl Ketones via Intramolecular SN2-like Displacement of an Ester. Organic Letters. PMID 27617843 DOI: 10.1021/Acs.Orglett.6B02588  0.668
2016 Lin B, Yu P, He CQ, Houk KN. Origins of regioselectivity in 1,3-dipolar cycloadditions of nitrile oxides with alkynylboronates. Bioorganic & Medicinal Chemistry. PMID 27501912 DOI: 10.1016/J.Bmc.2016.07.032  0.666
2016 Li Y, Osuna S, Garcia-Borràs M, Qi X, Liu S, Houk KN, Lan Y. Reactivity of Single-Walled Carbon Nanotubes in the Diels-Alder Cycloaddition Reaction: Distortion-Interaction Analysis along the Reaction Pathway. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27465519 DOI: 10.1002/Chem.201601799  0.694
2016 Grayson MN, Houk KN. Cinchona Urea-Catalyzed Asymmetric Sulfa-Michael Reactions: The Brønsted Acid-Hydrogen Bonding Model. Journal of the American Chemical Society. PMID 27396591 DOI: 10.1021/jacs.6b05074  0.314
2016 Yu P, Yang Z, Liang Y, Hong X, Li Y, Houk KN. Distortion-Controlled Reactivity and Molecular Dynamics of Dehydro-Diels-Alder Reactions. Journal of the American Chemical Society. PMID 27286801 DOI: 10.1021/Jacs.6B04113  0.792
2016 Lee J, Grandner JM, Engle KM, Houk KN, Grubbs RH. In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidene Complexes. Journal of the American Chemical Society. 138: 7171-7. PMID 27186790 DOI: 10.1021/Jacs.6B03767  0.606
2016 Yang YF, Houk KN, Wu YD. Computational Exploration of Rh(III)/Rh(V) and Rh(III)/Rh(I) Catalysis in Rhodium (III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes. Journal of the American Chemical Society. PMID 27177448 DOI: 10.1021/Jacs.6B03424  0.62
2016 Noey EL, Jiménez-Osés G, Clive DL, Houk KN. Computations reveal that electron-withdrawing leaving groups facilitate intramolecular conjugate displacement reactions by negative hyperconjugation. The Journal of Organic Chemistry. PMID 27100519 DOI: 10.1021/Acs.Joc.6B00691  0.82
2016 Liu F, Yang Z, Mei Y, Houk KN. QM/QM' Direct Molecular Dynamics of Water-Accelerated Diels-Alder Reaction. The Journal of Physical Chemistry. B. PMID 27092967 DOI: 10.1021/acs.jpcb.6b02336  0.604
2016 Park J, McDonald JJ, Petter RC, Houk KN. Molecular dynamics analysis of binding of kinase inhibitors to WT EGFR and the T790M mutant. Journal of Chemical Theory and Computation. PMID 27010480 DOI: 10.1021/Acs.Jctc.5B01221  0.535
2016 Li X, Song W, Zhao XL, Ke X, Xu X, Liu P, Houk KN, Tang W. Rhodium-Catalyzed [5+2] Cycloaddition of Inverted 3-Acyloxy-1,4-enyne and Alkyne: Experimental and Theoretical Studies. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26990319 DOI: 10.1002/Chem.201601195  0.498
2016 Jiang X, O'Brien ZJ, Yang S, Lai LH, Buenaflor J, Tan C, Khan S, Houk KN, Garcia-Garibay MA. Crystal Fluidity Reflected by Fast Rotational Motion at the Core, Branches and Peripheral Aromatic Groups of a Dendrimeric Molecular Rotor. Journal of the American Chemical Society. PMID 26973017 DOI: 10.1021/Jacs.6B01398  0.536
2016 Lam YH, Grayson MN, Holland MC, Simon A, Houk KN. Theory and Modeling of Asymmetric Catalytic Reactions. Accounts of Chemical Research. PMID 26967569 DOI: 10.1021/Acs.Accounts.6B00006  0.497
2016 Yang Z, Yu P, Houk KN. Molecular Dynamics of Dimethyldioxirane C-H Oxidation. Journal of the American Chemical Society. PMID 26964643 DOI: 10.1021/Jacs.6B01028  0.768
2016 Lin HC, McMahon TC, Patel A, Corsello M, Simon A, Xu W, Zhao M, Houk KN, Garg NK, Tang Y. P450-Mediated Coupling of Indole Fragments to Forge Communesin and Unnatural Isomers. Journal of the American Chemical Society. PMID 26963294 DOI: 10.1021/Jacs.6B01413  0.424
2016 Patel A, Chen Z, Yang Z, Gutierrez O, Liu HW, Houk KN, Singleton DA. Dynamically complex [6+4] and [4+2] cycloadditions in the biosynthesis of spinosyn A. Journal of the American Chemical Society. PMID 26909570 DOI: 10.1021/Jacs.6B00017  0.749
2016 Barber JS, Styduhar ED, Pham HV, McMahon TC, Houk KN, Garg NK. Nitrone Cycloadditions of 1,2-Cyclohexadiene. Journal of the American Chemical Society. PMID 26854652 DOI: 10.1021/Jacs.5B13304  0.449
2016 Martinez-Solorio D, Melillo B, Sanchez L, Liang Y, Lam E, Houk KN, Smith AB. Design, Synthesis, and Validation of an Effective, Reusable Silicon-Based Transfer Agent for Room-Temperature Pd-Catalyzed Cross-Coupling Reactions of Aryl and Heteroaryl Chlorides with Readily Available Aryl Lithium Reagents. Journal of the American Chemical Society. PMID 26835838 DOI: 10.1021/Jacs.5B13260  0.379
2016 Hie L, Fine Nathel NF, Hong X, Yang YF, Houk KN, Garg NK. Nickel-Catalyzed Activation of Acyl C-O Bonds of Methyl Esters. Angewandte Chemie (International Ed. in English). PMID 26804615 DOI: 10.1002/Anie.201511486  0.415
2016 Yang YF, Liang Y, Liu F, Houk KN. Diels-Alder Reactivities of Benzene, Pyridine, and Di-, Tri- and Tetrazines: The Roles of Geometrical Distortions and Orbital Interactions. Journal of the American Chemical Society. PMID 26804318 DOI: 10.1021/Jacs.5B12054  0.368
2016 Rosebrugh LE, Ahmed TS, Marx VM, Hartung J, Liu P, García López J, Houk KN, Grubbs RH. Probing Stereoselectivity in Ring-Opening Metathesis Polymerization Mediated by Cyclometalated Ruthenium-Based Catalysts: A Combined Experimental and Computational Study. Journal of the American Chemical Society. PMID 26726835 DOI: 10.1021/Jacs.5B12277  0.452
2016 Vogel P, Lam YH, Simon A, Houk KN. Organocatalysis: Fundamentals and comparisons to metal and enzyme catalysis Catalysts. 6. DOI: 10.3390/Catal6090128  0.466
2016 Yavuz I, Lopez SA, Lin JB, Houk KN. Quantitative prediction of morphology and electron transport in crystal and disordered organic semiconductors Journal of Materials Chemistry C. 4: 11238-11243. DOI: 10.1039/C6Tc03823A  0.589
2016 Rodríguez E, Grayson MN, Asensio A, Barrio P, Houk KN, Fustero S. Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction of ortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity Acs Catalysis. 6: 2506-2514. DOI: 10.1021/acscatal.6b00209  0.311
2016 Park J, McDonald JJ, Petter RC, Houk K. The Influences of Drug-Resistant Mutations of EGFR to the Inhibitor Binding Affinity and the Drug Target Selectivity Profiles Biophysical Journal. 110: 544a. DOI: 10.1016/J.Bpj.2015.11.2910  0.525
2015 Jung ME, Roberts CA, Perez F, Pham HV, Zou L, Houk KN. Thermodynamic Control of Isomerizations of Bicyclic Radicals: Interplay of Ring Strain and Radical Stabilization. Organic Letters. PMID 26670884 DOI: 10.1021/Acs.Orglett.5B03112  0.507
2015 Noey EL, Tibrewal N, Jiménez-Osés G, Osuna S, Park J, Bond CM, Cascio D, Liang J, Zhang X, Huisman GW, Tang Y, Houk KN. Origins of stereoselectivity in evolved ketoreductases. Proceedings of the National Academy of Sciences of the United States of America. PMID 26644568 DOI: 10.1073/Pnas.1507910112  0.793
2015 Baxter RD, Liang Y, Hong X, Brown TA, Zare RN, Houk KN, Baran PS, Blackmond DG. Mechanistic Insights into Two-Phase Radical C-H Arylations. Acs Central Science. 1: 456-462. PMID 26640819 DOI: 10.1021/Acscentsci.5B00332  0.337
2015 Walton MC, Yang YF, Hong X, Houk KN, Overman LE. Ligand-Controlled Diastereoselective 1,3-Dipolar Cycloadditions of Azomethine Ylides with Methacrylonitrile. Organic Letters. PMID 26605985 DOI: 10.1021/Acs.Orglett.5B03171  0.374
2015 Yang Z, Doubleday C, Houk KN. QM/MM Protocol for Direct Molecular Dynamics of Chemical Reactions in Solution: The Water-Accelerated Diels-Alder Reaction. Journal of Chemical Theory and Computation. PMID 26588803 DOI: 10.1021/acs.jctc.5b01029  0.636
2015 Hooper JF, James NC, Bozkurt E, Aviyente V, White JM, Holland MC, Gilmour R, Holmes AB, Houk KN. Medium ring effects on the endo/exo selectivity of the organo-catalytic intramolecular Diels-Alder reaction. The Journal of Organic Chemistry. PMID 26560246 DOI: 10.1021/Acs.Joc.5B02037  0.449
2015 He CQ, Chen TQ, Patel A, Karabiyikoglu S, Merlic CA, Houk KN. Distortion, Tether, and Entropy Effects on Transannular Diels-Alder Cycloaddition Reactions of 10-18-Membered Rings. The Journal of Organic Chemistry. 80: 11039-47. PMID 26466172 DOI: 10.1021/Acs.Joc.5B02288  0.34
2015 Levandowski BJ, Zou L, Houk KN. Schleyer hyperconjugative aromaticity and Diels-Alder reactivity of 5-substituted cyclopentadienes. Journal of Computational Chemistry. PMID 26444427 DOI: 10.1002/Jcc.24191  0.54
2015 Patel A, Vella JR, Ma ZX, Hsung RP, Houk KN. Transition State Gauche Effects Control the Torquoselectivities of the Electrocyclizations of Chiral 1-Azatrienes. The Journal of Organic Chemistry. PMID 26435446 DOI: 10.1021/Acs.Joc.5B02085  0.379
2015 Yu P, Patel A, Houk KN. A Transannular [6+4] and Ambimodal Cycloaddition in the Biosynthesis of Heronamide A. Journal of the American Chemical Society. PMID 26435377 DOI: 10.1021/Jacs.5B06656  0.692
2015 Asari AH, Lam YH, Tius MA, Houk KN. Origins of the Stereoselectivity in a Thiourea-Primary Amine-Catalyzed Nazarov Cyclization. Journal of the American Chemical Society. PMID 26426475 DOI: 10.1021/Jacs.5B08969  0.397
2015 Phillips EM, Mesganaw T, Patel A, Duttwyler S, Mercado BQ, Houk KN, Ellman JA. Synthesis of ent-ketorfanol via a C-H alkenylation/torquoselective 6π electrocyclization cascade. Angewandte Chemie (International Ed. in English). 54: 12044-8. PMID 26385263 DOI: 10.1002/Anie.201505604  0.307
2015 Sato M, Yagishita F, Mino T, Uchiyama N, Patel A, Chooi YH, Goda Y, Xu W, Noguchi H, Yamamoto T, Hotta K, Houk KN, Tang Y, Watanabe K. Involvement of Lipocalin-like CghA in Decalin-Forming Stereoselective Intramolecular [4+2] Cycloaddition. Chembiochem : a European Journal of Chemical Biology. PMID 26360642 DOI: 10.1002/Cbic.201500386  0.516
2015 Mao XM, Zhan ZJ, Grayson MN, Tang MC, Xu W, Li YQ, Yin WB, Lin HC, Chooi YH, Houk KN, Tang Y. Efficient Biosynthesis of Fungal Polyketides Containing the Dioxabicyclo-octane Ring System. Journal of the American Chemical Society. PMID 26340065 DOI: 10.1021/Jacs.5B07816  0.475
2015 Chung TS, Lopez SA, Houk KN, Garcia-Garibay MA. Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines. Organic Letters. 17: 4568-71. PMID 26338467 DOI: 10.1021/Acs.Orglett.5B02290  0.778
2015 Honda K, Lopez SA, Houk KN, Mikami K. Mono-, Di-, and Trifluoroalkyl Substituent Effects on the Torquoselectivities of Cyclobutene and Oxetene Electrocyclic Ring Openings. The Journal of Organic Chemistry. PMID 26301819 DOI: 10.1021/Acs.Joc.5B01361  0.667
2015 Hog DT, Huber FM, Jiménez-Osés G, Mayer P, Houk KN, Trauner D. Evolution of a Unified Strategy for Complex Sesterterpenoids: Progress toward Astellatol and the Total Synthesis of (-)-Nitidasin. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 13646-65. PMID 26300211 DOI: 10.1002/Chem.201501423  0.63
2015 Larsen MH, Houk KN, Hashmi AS. Dual Gold Catalysis: Stepwise Catalyst Transfer via Dinuclear Clusters. Journal of the American Chemical Society. PMID 26258807 DOI: 10.1021/Jacs.5B05773  0.31
2015 Narayan AR, Jiménez-Osés G, Liu P, Negretti S, Zhao W, Gilbert MM, Ramabhadran RO, Yang YF, Furan LR, Li Z, Podust LM, Montgomery J, Houk KN, Sherman DH. Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations. Nature Chemistry. 7: 653-60. PMID 26201742 DOI: 10.1038/Nchem.2285  0.682
2015 Hie L, Fine Nathel NF, Shah TK, Baker EL, Hong X, Yang YF, Liu P, Houk KN, Garg NK. Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds. Nature. PMID 26200342 DOI: 10.1038/Nature14615  0.524
2015 Camelio AM, Liang Y, Eliasen AM, Johnson TC, Yuan C, Schuppe AW, Houk KN, Siegel D. Computational and Experimental Studies of Phthaloyl Peroxide-Mediated Hydroxylation of Arenes Yield a More Reactive Derivative, 4,5-Dichlorophthaloyl Peroxide. The Journal of Organic Chemistry. 80: 8084-95. PMID 26200205 DOI: 10.1021/Acs.Joc.5B01079  0.44
2015 Neufeldt SR, Jiménez-Osés G, Huckins JR, Thiel OR, Houk KN. Pyridine N-Oxide vs Pyridine Substrates for Rh(III)-Catalyzed Oxidative C-H Bond Functionalization. Journal of the American Chemical Society. 137: 9843-54. PMID 26197041 DOI: 10.1021/Jacs.5B03535  0.804
2015 Hong X, Bercovici DA, Yang Z, Al-Bataineh N, Srinivasan R, Dhakal RC, Houk KN, Brewer M. Mechanism and Dynamics of Intramolecular C-H Insertion Reactions of 1-Aza-2-azoniaallene Salts. Journal of the American Chemical Society. 137: 9100-7. PMID 26151292 DOI: 10.1021/Jacs.5B04474  0.673
2015 Grayson MN, Krische MJ, Houk KN. Ruthenium-Catalyzed Asymmetric Hydrohydroxyalkylation of Butadiene: The Role of the Formyl Hydrogen Bond in Stereochemical Control. Journal of the American Chemical Society. PMID 26107070 DOI: 10.1021/Jacs.5B04844  0.385
2015 Kamber DN, Liang Y, Blizzard RJ, Liu F, Mehl RA, Houk KN, Prescher JA. 1,2,4-Triazines Are Versatile Bioorthogonal Reagents. Journal of the American Chemical Society. PMID 26084312 DOI: 10.1021/Jacs.5B05100  0.355
2015 Pham HV, Karns AS, Vanderwal CD, Houk KN. Computational and experimental investigations of the formal dyotropic rearrangements of himbert arene/allene cycloadducts. Journal of the American Chemical Society. 137: 6956-64. PMID 25961134 DOI: 10.1021/Jacs.5B03718  0.409
2015 Krenske EH, Lam S, Ng JP, Lo B, Lam SK, Chiu P, Houk KN. Concerted Ring Opening and Cycloaddition of Chiral Epoxy Enolsilanes with Dienes. Angewandte Chemie (International Ed. in English). 54: 7422-5. PMID 25951012 DOI: 10.1002/Anie.201503003  0.695
2015 Engle KM, Lu G, Luo SX, Henling LM, Takase MK, Liu P, Houk KN, Grubbs RH. Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes. Journal of the American Chemical Society. 137: 5782-92. PMID 25897653 DOI: 10.1021/Jacs.5B01144  0.705
2015 Wang XN, Krenske EH, Johnston RC, Houk KN, Hsung RP. AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates. Journal of the American Chemical Society. 137: 5596-601. PMID 25895058 DOI: 10.1021/Jacs.5B02561  0.809
2015 Ma ZX, Patel A, Houk KN, Hsung RP. Highly torquoselective electrocyclizations and competing 1,7-hydrogen shifts of 1-azatrienes with silyl substitution at the allylic carbon. Organic Letters. 17: 2138-41. PMID 25859907 DOI: 10.1021/Acs.Orglett.5B00727  0.369
2015 McMahon TC, Medina JM, Yang YF, Simmons BJ, Houk KN, Garg NK. Generation and regioselective trapping of a 3,4-piperidyne for the synthesis of functionalized heterocycles. Journal of the American Chemical Society. 137: 4082-5. PMID 25768436 DOI: 10.1021/Jacs.5B01589  0.349
2015 Levandowski BJ, Houk KN. Theoretical analysis of reactivity patterns in Diels-Alder reactions of cyclopentadiene, cyclohexadiene, and cycloheptadiene with symmetrical and unsymmetrical dienophiles. The Journal of Organic Chemistry. 80: 3530-7. PMID 25741891 DOI: 10.1021/acs.joc.5b00174  0.335
2015 Osuna S, Jiménez-Osés G, Noey EL, Houk KN. Molecular dynamics explorations of active site structure in designed and evolved enzymes. Accounts of Chemical Research. 48: 1080-9. PMID 25738880 DOI: 10.1021/Ar500452Q  0.788
2015 Boeser CL, Holder JC, Taylor BL, Houk KN, Stoltz BM, Zare RN. Mechanistic analysis of an asymmetric palladium-catalyzed conjugate addition of arylboronic acids to β-substituted cyclic enones. Chemical Science (Royal Society of Chemistry : 2010). 6: 1917-1922. PMID 25729560 DOI: 10.1039/C4Sc03337J  0.637
2015 Törk L, Jiménez-Osés G, Doubleday C, Liu F, Houk KN. Molecular dynamics of the Diels-Alder reactions of tetrazines with alkenes and N2 extrusions from adducts. Journal of the American Chemical Society. 137: 4749-58. PMID 25726899 DOI: 10.1021/Jacs.5B00014  0.631
2015 Numajiri Y, Jiménez-Osés G, Wang B, Houk KN, Stoltz BM. Enantioselective synthesis of dialkylated N-heterocycles by palladium-catalyzed allylic alkylation. Organic Letters. 17: 1082-5. PMID 25714704 DOI: 10.1021/Ol503425T  0.618
2015 Yavuz I, Martin BN, Park J, Houk KN. Theoretical study of the molecular ordering, paracrystallinity, and charge mobilities of oligomers in different crystalline phases. Journal of the American Chemical Society. 137: 2856-66. PMID 25658235 DOI: 10.1021/Ja5076376  0.538
2015 Pérez-Estrada S, Rodríguez-Molina B, Xiao L, Santillan R, Jiménez-Osés G, Houk KN, Garcia-Garibay MA. Thermodynamic evaluation of aromatic CH/π interactions and rotational entropy in a molecular rotor. Journal of the American Chemical Society. 137: 2175-8. PMID 25635355 DOI: 10.1021/Ja512053T  0.71
2015 Lam YH, Houk KN. Origins of stereoselectivity in intramolecular aldol reactions catalyzed by cinchona amines. Journal of the American Chemical Society. 137: 2116-27. PMID 25629689 DOI: 10.1021/ja513096x  0.367
2015 Zheng Y, Miao MS, Dantelle G, Eisenmenger ND, Wu G, Yavuz I, Chabinyc ML, Houk KN, Wudl F. A solid-state effect responsible for an organic quintet state at room temperature and ambient pressure. Advanced Materials (Deerfield Beach, Fla.). 27: 1718-23. PMID 25619560 DOI: 10.1002/Adma.201405093  0.377
2015 Xie S, Lopez SA, Ramström O, Yan M, Houk KN. 1,3-Dipolar cycloaddition reactivities of perfluorinated aryl azides with enamines and strained dipolarophiles. Journal of the American Chemical Society. 137: 2958-66. PMID 25553488 DOI: 10.1021/Ja511457G  0.699
2015 Park J, Pham HV, Mogensen K, Solling TI, Bennetzen MV, Houk KN. Hydrocarbon binding by proteins: structures of protein binding sites for ≥C10 linear alkanes or long-chain alkyl and alkenyl groups. The Journal of Organic Chemistry. 80: 997-1005. PMID 25526284 DOI: 10.1021/Jo502488E  0.597
2015 Krenske EH, Houk KN, Harmata M. Computational analysis of the stereochemical outcome in the imidazolidinone-catalyzed enantioselective (4 + 3)-cycloaddition reaction. The Journal of Organic Chemistry. 80: 744-50. PMID 25525966 DOI: 10.1021/Jo501906M  0.671
2015 Tang W, Jiménez-Osés G, Houk KN, van der Donk WA. Substrate control in stereoselective lanthionine biosynthesis. Nature Chemistry. 7: 57-64. PMID 25515891 DOI: 10.1038/Nchem.2113  0.617
2015 Richmond E, Ling KB, Duguet N, Manton LB, Çelebi-Ölçüm N, Lam YH, Alsancak S, Slawin AM, Houk KN, Smith AD. An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations. Organic & Biomolecular Chemistry. 13: 1807-17. PMID 25501712 DOI: 10.1039/C4Ob02526A  0.364
2015 Denmark SE, Chang WT, Houk KN, Liu P. Development of Chiral Bis-hydrazone Ligands for the Enantioselective Cross-Coupling Reactions of Aryldimethylsilanolates. The Journal of Organic Chemistry. 80: 313-66. PMID 25494058 DOI: 10.1021/Jo502388R  0.449
2015 Zhang L, Cao Y, Colella NS, Liang Y, Brédas JL, Houk KN, Briseno AL. Unconventional, chemically stable, and soluble two-dimensional angular polycyclic aromatic hydrocarbons: from molecular design to device applications. Accounts of Chemical Research. 48: 500-9. PMID 25458442 DOI: 10.1021/Ar500278W  0.36
2015 Wang H, Hsieh B, Jiménez-Osés G, Liu P, Tassone CJ, Diao Y, Lei T, Houk KN, Bao Z. Solvent effects on polymer sorting of carbon nanotubes with applications in printed electronics. Small (Weinheim An Der Bergstrasse, Germany). 11: 126-33. PMID 25138541 DOI: 10.1002/Smll.201401890  0.63
2015 Molnár IG, Holland MC, Daniliuc C, Houk KN, Gilmour R. Organocatalysis Intermediates as Platforms to Study Noncovalent Interactions: Integrating Fluorine Gauche Effects in Iminium Systems to Facilitate Acyclic Conformational Control Synlett. DOI: 10.1055/S-0035-1561199  0.345
2015 Thiehoff C, Holland MC, Daniliuc C, Houk KN, Gilmour R. Can acyclic conformational control be achieved via a sulfur-fluorine gauche effect? Chemical Science. 6: 3565-3571. DOI: 10.1039/C5Sc00871A  0.335
2015 Hong X, Bercovici DA, Yang Z, Al-Bataineh N, Srinivasan R, Dhakal RC, Houk KN, Brewer M. Mechanism and Dynamics of Intramolecular C-H Insertion Reactions of 1-Aza-2-azoniaallene Salts Journal of the American Chemical Society. 137: 9100-9107. DOI: 10.1021/jacs.5b04474  0.633
2015 Herbert MB, Suslick BA, Liu P, Zou L, Dornan PK, Houk KN, Grubbs RH. Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups Organometallics. 34: 2858-2869. DOI: 10.1021/Acs.Organomet.5B00185  0.578
2015 Camelio AM, Liang Y, Eliasen AM, Johnson TC, Yuan C, Schuppe AW, Houk KN, Siegel D. Computational and Experimental Studies of Phthaloyl Peroxide-Mediated Hydroxylation of Arenes Yield a More Reactive Derivative, 4,5-Dichlorophthaloyl Peroxide Journal of Organic Chemistry. 80: 8084-8095. DOI: 10.1021/acs.joc.5b01079  0.328
2015 Wang X, Krenske EH, Johnston RC, Houk KN, Hsung RP. ChemInform Abstract: AlCl3-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained cis,trans-Cycloheptadienone Intermediates. Cheminform. 46: no-no. DOI: 10.1002/chin.201538074  0.791
2015 Merrer DC, Houk KN, Xu L. ChemInform Abstract: Dynamics in Carbene Reactions Cheminform. 46: no-no. DOI: 10.1002/chin.201508345  0.479
2015 Wang H, Li Y, Jiménez-Osés G, Liu P, Fang Y, Zhang J, Lai YC, Park S, Chen L, Houk KN, Bao Z. N-type conjugated polymer-enabled selective dispersion of semiconducting carbon nanotubes for flexible CMOS-like circuits Advanced Functional Materials. 25: 1837-1844. DOI: 10.1002/Adfm.201404126  0.61
2014 Malik HA, Taylor BL, Kerrigan JR, Grob JE, Houk KN, Du Bois J, Hamann LG, Patterson AW. Non-Directed Allylic C-H Acetoxylation in the Presence of Lewis Basic Heterocycles. Chemical Science (Royal Society of Chemistry : 2010). 5: 2352-2361. PMID 25685311 DOI: 10.1039/C3Sc53414F  0.587
2014 Kumar P, Thakur A, Hong X, Houk KN, Louie J. Ni(NHC)]-catalyzed cycloaddition of diynes and tropone: apparent enone cycloaddition involving an 8π insertion. Journal of the American Chemical Society. 136: 17844-51. PMID 25416006 DOI: 10.1021/Ja5105206  0.341
2014 Haynes MT, Liu P, Baxter RD, Nett AJ, Houk KN, Montgomery J. Dimer involvement and origin of crossover in nickel-catalyzed aldehyde-alkyne reductive couplings. Journal of the American Chemical Society. 136: 17495-504. PMID 25401337 DOI: 10.1021/Ja508909U  0.477
2014 Hong X, Stevens MC, Liu P, Wender PA, Houk KN. Reactivity and chemoselectivity of allenes in Rh(I)-catalyzed intermolecular (5 + 2) cycloadditions with vinylcyclopropanes: allene-mediated rhodacycle formation can poison Rh(I)-catalyzed cycloadditions. Journal of the American Chemical Society. 136: 17273-83. PMID 25379606 DOI: 10.1021/Ja5098308  0.512
2014 Neufeldt SR, Jiménez-Osés G, Comins DL, Houk KN. A twist on facial selectivity of hydride reductions of cyclic ketones: twist-boat conformers in cyclohexanone, piperidone, and tropinone reactions. The Journal of Organic Chemistry. 79: 11609-18. PMID 25372509 DOI: 10.1021/Jo5022635  0.782
2014 Patel A, Houk KN. Terminal substituent effects on the reactivity, thermodynamics, and stereoselectivity of the 8π-6π electrocyclization cascades of 1,3,5,7-tetraenes. The Journal of Organic Chemistry. 79: 11370-7. PMID 25358094 DOI: 10.1021/jo5015728  0.325
2014 Liang Y, Hong X, Yu P, Houk KN. Why alkynyl substituents dramatically accelerate hexadehydro-Diels-Alder (HDDA) reactions: stepwise mechanisms of HDDA cycloadditions. Organic Letters. 16: 5702-5. PMID 25329369 DOI: 10.1021/Ol502780W  0.712
2014 Hong X, Holte D, Götz DC, Baran PS, Houk KN. Mechanism, reactivity, and selectivity of nickel-catalyzed [4 + 4 + 2] cycloadditions of dienes and alkynes. The Journal of Organic Chemistry. 79: 12177-84. PMID 25325891 DOI: 10.1021/Jo502219D  0.371
2014 Yang Z, Jiménez-Osés G, López CJ, Bridges MD, Houk KN, Hubbell WL. Long-range distance measurements in proteins at physiological temperatures using saturation recovery EPR spectroscopy. Journal of the American Chemical Society. 136: 15356-65. PMID 25290172 DOI: 10.1021/Ja5083206  0.698
2014 Medina JM, McMahon TC, Jiménez-Osés G, Houk KN, Garg NK. Cycloadditions of cyclohexynes and cyclopentyne. Journal of the American Chemical Society. 136: 14706-9. PMID 25283710 DOI: 10.1021/Ja508635V  0.546
2014 Michaudel Q, Journot G, Regueiro-Ren A, Goswami A, Guo Z, Tully TP, Zou L, Ramabhadran RO, Houk KN, Baran PS. Improving physical properties via C-H oxidation: chemical and enzymatic approaches. Angewandte Chemie (International Ed. in English). 53: 12091-6. PMID 25244630 DOI: 10.1002/Anie.201407016  0.499
2014 Matute RA, Garcia-Garibay MA, Houk KN. Theory of substituent effects on the regioselectivity of di-π-methane rearrangements of dibenzobarrelenes. Organic Letters. 16: 5232-4. PMID 25237757 DOI: 10.1021/Ol5024823  0.798
2014 Pham HV, Houk KN. Diels-Alder reactions of allene with benzene and butadiene: concerted, stepwise, and ambimodal transition states. The Journal of Organic Chemistry. 79: 8968-76. PMID 25216056 DOI: 10.1021/Jo502041F  0.435
2014 Yang YF, Chung LW, Zhang X, Houk KN, Wu YD. Ligand-controlled reactivity, selectivity, and mechanism of cationic ruthenium-catalyzed hydrosilylations of alkynes, ketones, and nitriles: a theoretical study. The Journal of Organic Chemistry. 79: 8856-64. PMID 25157438 DOI: 10.1021/Jo501730N  0.714
2014 Meng SS, Liang Y, Cao KS, Zou L, Lin XB, Yang H, Houk KN, Zheng WH. Chiral phosphoric acid catalyzed highly enantioselective desymmetrization of 2-substituted and 2,2-disubstituted 1,3-diols via oxidative cleavage of benzylidene acetals. Journal of the American Chemical Society. 136: 12249-52. PMID 25126836 DOI: 10.1021/Ja507332X  0.586
2014 Lopez SA, Pourati M, Gais HJ, Houk KN. How torsional effects cause attack at sterically crowded concave faces of bicyclic alkenes. The Journal of Organic Chemistry. 79: 8304-12. PMID 25068678 DOI: 10.1021/Jo501557Z  0.694
2014 Hong X, Liang Y, Brewer M, Houk KN. How tethers control the chemo- and regioselectivities of intramolecular cycloadditions between aryl-1-aza-2-azoniaallenes and alkenes. Organic Letters. 16: 4260-3. PMID 25058856 DOI: 10.1021/Ol501958S  0.41
2014 Liu F, Liang Y, Houk KN. Theoretical elucidation of the origins of substituent and strain effects on the rates of Diels-Alder reactions of 1,2,4,5-tetrazines. Journal of the American Chemical Society. 136: 11483-93. PMID 25041719 DOI: 10.1021/Ja505569A  0.497
2014 Han X, Bian S, Liang Y, Houk KN, Braunschweig AB. Reactions in elastomeric nanoreactors reveal the role of force on the kinetics of the Huisgen reaction on surfaces. Journal of the American Chemical Society. 136: 10553-6. PMID 25028773 DOI: 10.1021/Ja504137U  0.338
2014 Cao Y, Liang Y, Zhang L, Osuna S, Hoyt AL, Briseno AL, Houk KN. Why bistetracenes are much less reactive than pentacenes in Diels-Alder reactions with fullerenes. Journal of the American Chemical Society. 136: 10743-51. PMID 25007333 DOI: 10.1021/Ja505240E  0.425
2014 Wang XN, Krenske EH, Johnston RC, Houk KN, Hsung RP. Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate. Journal of the American Chemical Society. 136: 9802-5. PMID 24992255 DOI: 10.1021/Ja502252T  0.791
2014 Wang H, Koleilat GI, Liu P, Jiménez-Osés G, Lai YC, Vosgueritchian M, Fang Y, Park S, Houk KN, Bao Z. Correction to High-Yield Sorting of Small-Diameter Carbon Nanotubes for Solar Cells and Transistors. Acs Nano. PMID 24988472 DOI: 10.1021/Nn503452B  0.601
2014 Lam YH, Houk KN. How cinchona alkaloid-derived primary amines control asymmetric electrophilic fluorination of cyclic ketones. Journal of the American Chemical Society. 136: 9556-9. PMID 24967514 DOI: 10.1021/Ja504714M  0.383
2014 Jarvis CL, Richers MT, Breugst M, Houk KN, Seidel D. Redox-neutral α-sulfenylation of secondary amines: ring-fused N,S-acetals. Organic Letters. 16: 3556-9. PMID 24927364 DOI: 10.1021/Ol501509B  0.373
2014 Breugst M, Houk KN. Computational analysis of cyclophane-based bisthiourea-catalyzed Henry reactions. The Journal of Organic Chemistry. 79: 6302-9. PMID 24927014 DOI: 10.1021/Jo501227M  0.438
2014 Lopez SA, Houk KN. Substituent effects on rates and torquoselectivities of electrocyclic ring-openings of N-substituted 2-azetines. The Journal of Organic Chemistry. 79: 6189-95. PMID 24885772 DOI: 10.1021/Jo500919S  0.712
2014 Tran AT, Liu P, Houk KN, Nicholas KM. Regioselectivity in the Cu(I)-catalyzed [4 + 2]-cycloaddition of 2-nitrosopyridine with unsymmetrical dienes. The Journal of Organic Chemistry. 79: 5617-26. PMID 24853468 DOI: 10.1021/Jo5005907  0.522
2014 Hu Y, Dietrich D, Xu W, Patel A, Thuss JA, Wang J, Yin WB, Qiao K, Houk KN, Vederas JC, Tang Y. A carbonate-forming Baeyer-Villiger monooxygenase. Nature Chemical Biology. 10: 552-4. PMID 24838010 DOI: 10.1038/Nchembio.1527  0.422
2014 Zhu J, Liang Y, Wang L, Zheng ZB, Houk KN, Tang Y. Remote ester groups switch selectivity: diastereodivergent synthesis of tetracyclic spiroindolines. Journal of the American Chemical Society. 136: 6900-3. PMID 24766366 DOI: 10.1021/Ja503117Q  0.391
2014 Dugas GJ, Lam YH, Houk KN, Krauss IJ. Boron carboxylate catalysis of homoallylboration. The Journal of Organic Chemistry. 79: 4277-84. PMID 24754566 DOI: 10.1021/Jo500599H  0.383
2014 Cannon JS, Zou L, Liu P, Lan Y, O'Leary DJ, Houk KN, Grubbs RH. Carboxylate-assisted C(sp³)-H activation in olefin metathesis-relevant ruthenium complexes. Journal of the American Chemical Society. 136: 6733-43. PMID 24731019 DOI: 10.1021/Ja5021958  0.577
2014 Jiménez-Osés G, Osuna S, Gao X, Sawaya MR, Gilson L, Collier SJ, Huisman GW, Yeates TO, Tang Y, Houk KN. The role of distant mutations and allosteric regulation on LovD active site dynamics. Nature Chemical Biology. 10: 431-6. PMID 24727900 DOI: 10.1038/Nchembio.1503  0.638
2014 Jung ME, Lee GS, Pham HV, Houk KN. Palladium hydride promoted stereoselective isomerization of unactivated di(exo)methylenes to endocyclic dienes. Organic Letters. 16: 2382-5. PMID 24720691 DOI: 10.1021/Ol500710V  0.349
2014 Richers MT, Breugst M, Platonova AY, Ullrich A, Dieckmann A, Houk KN, Seidel D. Redox-neutral α-oxygenation of amines: reaction development and elucidation of the mechanism. Journal of the American Chemical Society. 136: 6123-35. PMID 24689802 DOI: 10.1021/Ja501988B  0.411
2014 Choi SR, Breugst M, Houk KN, Poulter CD. δ-Deuterium isotope effects as probes for transition-state structures of isoprenoid substrates. The Journal of Organic Chemistry. 79: 3572-80. PMID 24665882 DOI: 10.1021/Jo500394U  0.446
2014 Jiménez-Osés G, Liu P, Matute RA, Houk KN. Competition between concerted and stepwise dynamics in the triplet di-π-methane rearrangement. Angewandte Chemie (International Ed. in English). 53: 8664-7. PMID 24616069 DOI: 10.1002/Anie.201310237  0.819
2014 Yang J, Liang Y, Še?kut? J, Houk KN, Devaraj NK. Synthesis and reactivity comparisons of 1-methyl-3-substituted cyclopropene mini-tags for tetrazine bioorthogonal reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3365-75. PMID 24615990 DOI: 10.1002/Chem.201304225  0.435
2014 Green AG, Liu P, Merlic CA, Houk KN. Distortion/Interaction analysis reveals the origins of selectivities in iridium-catalyzed C-H borylation of substituted arenes and 5-membered heterocycles. Journal of the American Chemical Society. 136: 4575-83. PMID 24580415 DOI: 10.1021/Ja411699U  0.551
2014 Wang H, Koleilat GI, Liu P, Jiménez-Osés G, Lai YC, Vosgueritchian M, Fang Y, Park S, Houk KN, Bao Z. High-yield sorting of small-diameter carbon nanotubes for solar cells and transistors. Acs Nano. 8: 2609-17. PMID 24484388 DOI: 10.1021/Nn406256Y  0.618
2014 Parker MF, Osuna S, Bollot G, Vaddypally S, Zdilla MJ, Houk KN, Schafmeister CE. Acceleration of an aromatic Claisen rearrangement via a designed spiroligozyme catalyst that mimics the ketosteroid isomerase catalytic dyad. Journal of the American Chemical Society. 136: 3817-27. PMID 24456160 DOI: 10.1021/Ja409214C  0.367
2014 Cheng GJ, Yang YF, Liu P, Chen P, Sun TY, Li G, Zhang X, Houk KN, Yu JQ, Wu YD. Role of N-acyl amino acid ligands in Pd(II)-catalyzed remote C-H activation of tethered arenes. Journal of the American Chemical Society. 136: 894-7. PMID 24410499 DOI: 10.1021/Ja411683N  0.743
2014 Pham HV, Paton RS, Ross AG, Danishefsky SJ, Houk KN. Intramolecular Diels-Alder reactions of cycloalkenones: stereoselectivity, Lewis acid acceleration, and halogen substituent effects. Journal of the American Chemical Society. 136: 2397-403. PMID 24410341 DOI: 10.1021/Ja410220W  0.67
2014 Wang H, Houk KN. Torsional Control of Stereoselectivities in Electrophilic Additions and Cycloadditions to Alkenes. Chemical Science (Royal Society of Chemistry : 2010). 5. PMID 24409340 DOI: 10.1039/C3Sc52538D  0.405
2014 Dornan PK, Kou KG, Houk KN, Dong VM. Dynamic kinetic resolution of allylic sulfoxides by Rh-catalyzed hydrogenation: a combined theoretical and experimental mechanistic study. Journal of the American Chemical Society. 136: 291-8. PMID 24350903 DOI: 10.1021/Ja409824B  0.361
2014 Yang YF, Cheng GJ, Liu P, Leow D, Sun TY, Chen P, Zhang X, Yu JQ, Wu YD, Houk KN. Palladium-catalyzed meta-selective C-H bond activation with a nitrile-containing template: computational study on mechanism and origins of selectivity. Journal of the American Chemical Society. 136: 344-55. PMID 24313742 DOI: 10.1021/Ja410485G  0.757
2014 Avery Sader C, Houk KN. Distortion/interaction analysis of the reactivities and selectivities of halo- and methoxy-substituted carbenes with alkenes Arkivoc. 2014: 170-183. DOI: 10.3998/Ark.5550190.P008.408  0.392
2014 Houk KN, Liu P. Using Computational Chemistry to Understand & Discover Chemical Reactions Daedalus. 143: 49-66. DOI: 10.1162/Daed_A_00305  0.48
2014 Hong X, Liang Y, Griffith AK, Lambert TH, Houk KN. Distortion-accelerated cycloadditions and strain-release-promoted cycloreversions in the organocatalytic carbonyl-olefin metathesis Chemical Science. 5: 471-475. DOI: 10.1039/C3Sc52882K  0.335
2014 Chun S, Park J, Thompson MC, Eun C, McCammon JA, Houk KN, Yeates TO. Exploring Dynamic Events of Bacterial Microcompartment Shell Pores Biophysical Journal. 106: 803a. DOI: 10.1016/J.Bpj.2013.11.4400  0.602
2013 Osuna S, Kim S, Bollot G, Houk KN. Aromatic Claisen Rearrangements of O-prenylated tyrosine and model prenyl aryl ethers: Computational study of the role of water on acceleration of Claisen rearrangements. European Journal of Organic Chemistry. 2013. PMID 24376368 DOI: 10.1002/Ejoc.201201738  0.377
2013 Deng Q, Thomas BE, Houk KN, Dowd P. Transition structures of the ene reactions of cyclopropene. Journal of the American Chemical Society. 119: 6902-8. PMID 24236571 DOI: 10.1021/Ja963248Q  0.636
2013 Schwarzwalder GM, Steinhardt SE, Pham HV, Houk KN, Vanderwal CD. Synthesis of the tetracyclic core of exiguaquinol. Organic Letters. 15: 6014-7. PMID 24219829 DOI: 10.1021/Ol402905N  0.419
2013 Krenske EH, Patel A, Houk KN. Does nature click? Theoretical prediction of an enzyme-catalyzed transannular 1,3-dipolar cycloaddition in the biosynthesis of lycojaponicumins A and B. Journal of the American Chemical Society. 135: 17638-42. PMID 24195703 DOI: 10.1021/Ja409928Z  0.67
2013 Cao Y, Osuna S, Liang Y, Haddon RC, Houk KN. Diels-Alder reactions of graphene: computational predictions of products and sites of reaction. Journal of the American Chemical Society. 135: 17643-9. PMID 24159929 DOI: 10.1021/Ja410225U  0.376
2013 Morin MS, St-Cyr DJ, Arndtsen BA, Krenske EH, Houk KN. Modular mesoionics: understanding and controlling regioselectivity in 1,3-dipolar cycloadditions of Münchnone derivatives. Journal of the American Chemical Society. 135: 17349-58. PMID 24134494 DOI: 10.1021/Ja406833Q  0.668
2013 de Loera D, Liu F, Houk KN, Garcia-Garibay MA. Aziridine nitrogen inversion by dynamic NMR: activation parameters in a fused bicyclic structure. The Journal of Organic Chemistry. 78: 11623-6. PMID 24125572 DOI: 10.1021/Jo4022315  0.627
2013 Zhang S, Çelebi-Ölçüm N, Melzer MM, Houk KN, Warren TH. Copper(I) nitrosyls from reaction of copper(II) thiolates with S-nitrosothiols: mechanism of NO release from RSNOs at Cu. Journal of the American Chemical Society. 135: 16746-9. PMID 24111922 DOI: 10.1021/Ja406476Y  0.347
2013 Lam JK, Pham HV, Houk KN, Vanderwal CD. Computation and experiment reveal that the ring-rearrangement metathesis of Himbert cycloadducts can be subject to kinetic or thermodynamic control. Journal of the American Chemical Society. 135: 17585-94. PMID 24111571 DOI: 10.1021/Ja409618P  0.414
2013 Liu F, Paton RS, Kim S, Liang Y, Houk KN. Diels-Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: activation barriers and distortion/interaction analysis. Journal of the American Chemical Society. 135: 15642-9. PMID 24044412 DOI: 10.1021/Ja408437U  0.634
2013 Osuna S, Dermenci A, Miller SJ, Houk KN. The roles of counterion and water in a stereoselective cysteine-catalyzed Rauhut-Currier reaction: a challenge for computational chemistry. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 14245-53. PMID 24038400 DOI: 10.1002/Chem.201300745  0.423
2013 Holder JC, Zou L, Marziale AN, Liu P, Lan Y, Gatti M, Kikushima K, Houk KN, Stoltz BM. Mechanism and enantioselectivity in palladium-catalyzed conjugate addition of arylboronic acids to β-substituted cyclic enones: insights from computation and experiment. Journal of the American Chemical Society. 135: 14996-5007. PMID 24028424 DOI: 10.1021/Ja401713G  0.63
2013 Kamber DN, Nazarova LA, Liang Y, Lopez SA, Patterson DM, Shih HW, Houk KN, Prescher JA. Isomeric cyclopropenes exhibit unique bioorthogonal reactivities. Journal of the American Chemical Society. 135: 13680-3. PMID 24000889 DOI: 10.1021/Ja407737D  0.706
2013 Breugst M, Grée R, Houk KN. Synergistic effects between Lewis and Brønsted acids: application to the Prins cyclization. The Journal of Organic Chemistry. 78: 9892-7. PMID 23984760 DOI: 10.1021/Jo401628E  0.316
2013 Gao X, Jiang W, Jiménez-Osés G, Choi MS, Houk KN, Tang Y, Walsh CT. An iterative, bimodular nonribosomal peptide synthetase that converts anthranilate and tryptophan into tetracyclic asperlicins. Chemistry & Biology. 20: 870-8. PMID 23890005 DOI: 10.1016/J.Chembiol.2013.04.019  0.661
2013 Yuan C, Liang Y, Hernandez T, Berriochoa A, Houk KN, Siegel D. Metal-free oxidation of aromatic carbon-hydrogen bonds through a reverse-rebound mechanism. Nature. 499: 192-6. PMID 23846658 DOI: 10.1038/Nature12284  0.403
2013 Souris C, Frébault F, Patel A, Audisio D, Houk KN, Maulide N. Stereoselective synthesis of dienyl-carboxylate building blocks: formal synthesis of inthomycin C. Organic Letters. 15: 3242-5. PMID 23763296 DOI: 10.1021/Ol401226Y  0.301
2013 James NC, Um JM, Padias AB, Hall HK, Houk KN. Computational investigation of the competition between the concerted Diels-Alder reaction and formation of diradicals in reactions of acrylonitrile with nonpolar dienes. The Journal of Organic Chemistry. 78: 6582-92. PMID 23758325 DOI: 10.1021/Jo400900X  0.779
2013 Xu X, Liu P, Shu XZ, Tang W, Houk KN. Rh-catalyzed (5+2) cycloadditions of 3-acyloxy-1,4-enynes and alkynes: computational study of mechanism, reactivity, and regioselectivity. Journal of the American Chemical Society. 135: 9271-4. PMID 23725341 DOI: 10.1021/Ja4036785  0.548
2013 Mejuch T, Gilboa N, Gayon E, Wang H, Houk KN, Marek I. Axial preferences in allylation reactions via the Zimmerman-Traxler transition state. Accounts of Chemical Research. 46: 1659-69. PMID 23672428 DOI: 10.1021/Ar4000532  0.444
2013 Schmidt Y, Lam JK, Pham HV, Houk KN, Vanderwal CD. Studies on the Himbert intramolecular arene/allene Diels-Alder cycloaddition. Mechanistic studies and expansion of scope to all-carbon tethers. Journal of the American Chemical Society. 135: 7339-48. PMID 23634642 DOI: 10.1021/Ja4025963  0.435
2013 Hong X, Trost BM, Houk KN. Mechanism and origins of selectivity in Ru(II)-catalyzed intramolecular (5+2) cycloadditions and ene reactions of vinylcyclopropanes and alkynes from density functional theory. Journal of the American Chemical Society. 135: 6588-600. PMID 23611430 DOI: 10.1021/Ja4012657  0.483
2013 Jiménez-Osés G, Brockway AJ, Shaw JT, Houk KN. Mechanism of alkoxy groups substitution by Grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions. Journal of the American Chemical Society. 135: 6633-42. PMID 23601086 DOI: 10.1021/Ja4015937  0.669
2013 Breugst M, Eschenmoser A, Houk KN. Theoretical exploration of the mechanism of riboflavin formation from 6,7-dimethyl-8-ribityllumazine: nucleophilic catalysis, hydride transfer, hydrogen atom transfer, or nucleophilic addition? Journal of the American Chemical Society. 135: 6658-68. PMID 23550951 DOI: 10.1021/Ja402099F  0.386
2013 Miyazaki H, Herbert MB, Liu P, Dong X, Xu X, Keitz BK, Ung T, Mkrtumyan G, Houk KN, Grubbs RH. Z-Selective ethenolysis with a ruthenium metathesis catalyst: experiment and theory. Journal of the American Chemical Society. 135: 5848-58. PMID 23547887 DOI: 10.1021/Ja4010267  0.763
2013 Krenske EH, He S, Huang J, Du Y, Houk KN, Hsung RP. Intramolecular oxyallyl-carbonyl (3 + 2) cycloadditions. Journal of the American Chemical Society. 135: 5242-5. PMID 23544997 DOI: 10.1021/Ja312459B  0.701
2013 Kiss G, Çelebi-Ölçüm N, Moretti R, Baker D, Houk KN. Computational enzyme design. Angewandte Chemie (International Ed. in English). 52: 5700-25. PMID 23526810 DOI: 10.1002/Anie.201204077  0.589
2013 Dieckmann A, Richers MT, Platonova AY, Zhang C, Seidel D, Houk KN. Metal-free α-amination of secondary amines: computational and experimental evidence for azaquinone methide and azomethine ylide intermediates. The Journal of Organic Chemistry. 78: 4132-44. PMID 23517448 DOI: 10.1021/Jo400483H  0.341
2013 Zou L, Paton RS, Eschenmoser A, Newhouse TR, Baran PS, Houk KN. Enhanced reactivity in dioxirane C-H oxidations via strain release: a computational and experimental study. The Journal of Organic Chemistry. 78: 4037-48. PMID 23461537 DOI: 10.1021/Jo400350V  0.697
2013 Kiss G, Pande VS, Houk KN. Molecular dynamics simulations for the ranking, evaluation, and refinement of computationally designed proteins Methods in Enzymology. 523: 145-170. PMID 23422429 DOI: 10.1016/B978-0-12-394292-0.00007-2  0.585
2013 Rosenker CJ, Krenske EH, Houk KN, Wipf P. Influence of base and structure in the reversible covalent conjugate addition of thiol to polycyclic enone scaffolds. Organic Letters. 15: 1076-9. PMID 23405884 DOI: 10.1021/Ol400094K  0.655
2013 Wang H, Mei J, Liu P, Schmidt K, Jiménez-Osés G, Osuna S, Fang L, Tassone CJ, Zoombelt AP, Sokolov AN, Houk KN, Toney MF, Bao Z. Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors. Acs Nano. 7: 2659-68. PMID 23402644 DOI: 10.1021/Nn4000435  0.612
2013 Lopez SA, Munk ME, Houk KN. Mechanisms and transition states of 1,3-dipolar cycloadditions of phenyl azide with enamines: A computational analysis Journal of Organic Chemistry. 78: 1576-1582. PMID 23347077 DOI: 10.1021/Jo302695N  0.658
2013 Bjelic S, Nivón LG, Çelebi-Ölçüm N, Kiss G, Rosewall CF, Lovick HM, Ingalls EL, Gallaher JL, Seetharaman J, Lew S, Montelione GT, Hunt JF, Michael FE, Houk KN, Baker D. Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chemical Biology. 8: 749-57. PMID 23330600 DOI: 10.1021/Cb3006227  0.616
2013 Wang H, Jain P, Antilla JC, Houk KN. Origins of stereoselectivities in chiral phosphoric acid catalyzed allylborations and propargylations of aldehydes. The Journal of Organic Chemistry. 78: 1208-15. PMID 23298338 DOI: 10.1021/Jo302787M  0.386
2013 Hong X, Liu P, Houk KN. Mechanism and origins of ligand-controlled selectivities in [Ni(NHC)]-catalyzed intramolecular (5 + 2) cycloadditions and homo-ene reactions: a theoretical study. Journal of the American Chemical Society. 135: 1456-62. PMID 23273283 DOI: 10.1021/Ja309873Z  0.558
2013 Lin H, Pei W, Wang H, Houk KN, Krauss IJ. Enantioselective homocrotylboration of aliphatic aldehydes Journal of the American Chemical Society. 135: 82-85. PMID 23256566 DOI: 10.1021/Ja311061N  0.349
2013 Wang H, Liu F, Helgeson RC, Houk KN. Reversible photochemically gated transformation of a hemicarcerand to a carcerand. Angewandte Chemie (International Ed. in English). 52: 655-9. PMID 23172821 DOI: 10.1002/Anie.201205376  0.317
2013 Du Y, Krenske EH, Antoline JE, Lohse AG, Houk KN, Hsung RP. Control of regioselectivity and stereoselectivity in (4 + 3) cycloadditions of chiral oxyallyls with unsymmetrically disubstituted furans. The Journal of Organic Chemistry. 78: 1753-9. PMID 22849303 DOI: 10.1021/Jo3011792  0.664
2013 Krenske EH, Houk KN. Aromatic interactions as control elements in stereoselective organic reactions Accounts of Chemical Research. 46: 979-989. PMID 22827883 DOI: 10.1021/Ar3000794  0.695
2013 Lopez SA, Houk KN. Alkene distortion energies and torsional effects control reactivities, and stereoselectivities of azide cycloadditions to norbornene and substituted norbornenes Journal of Organic Chemistry. 78: 1778-1783. PMID 22764840 DOI: 10.1021/Jo301267B  0.712
2013 Loiseleur O, Cassayre J, Leca D, Gaggini F, Pieniazek SN, Luft JAR, Houk KN. Control of hetero-diels-alder stereoselectivity through solvent polarity and bronsted or lewis acid catalysis; Theory and experiment Synlett. 24: 2446-2450. DOI: 10.1055/S-0033-1340046  0.765
2013 Fang L, Liu P, Sveinbjornsson BR, Atahan-Evrenk S, Vandewal K, Osuna S, Jiménez-Osés G, Shrestha S, Giri G, Wei P, Salleo A, Aspuru-Guzik A, Grubbs RH, Houk KN, Bao Z. Confined organization of fullerene units along high polymer chains Journal of Materials Chemistry C. 1: 5747-5755. DOI: 10.1039/C3Tc31158A  0.697
2013 Dieckmann A, Houk KN. Analysis of supramolecular complex energetics in artificial replicators Chemical Science. 4: 3591-3600. DOI: 10.1039/C3Sc51192H  0.302
2013 Lopez SA, Munk ME, Houk KN. Correction to Mechanisms and Transition States of 1,3-Dipolar Cycloadditions of Phenyl Azide with Enamines: A Computational Analysis The Journal of Organic Chemistry. 78: 5115-5115. DOI: 10.1021/Jo400863U  0.643
2013 Dieckmann A, Breugst M, Houk KN. Zwitterions and unobserved intermediates in organocatalytic diels-alder reactions of linear and cross-conjugated trienamines Journal of the American Chemical Society. 135: 3237-3242. DOI: 10.1021/Ja312043G  0.428
2012 Bigi MA, Liu P, Zou L, Houk KN, White MC. Cafestol to Tricalysiolide B and Oxidized Analogues: Biosynthetic and Derivatization Studies Using Non-heme Iron Catalyst Fe(PDP). Synlett : Accounts and Rapid Communications in Synthetic Organic Chemistry. 23: 2768-2772. PMID 23585710 DOI: 10.1055/S-0032-1317708  0.564
2012 Lam YH, Houk KN, Cossy J, Prado DG, Cochi A. H12461. Fluorine as a Regiocontrol Element in the Ring Openings of Bicyclic Aziridiniums. Helvetica Chimica Acta. 95: 2265-2277. PMID 23471532 DOI: 10.1002/Hlca.201200461  0.341
2012 Matute RA, Houk KN. The triplet surface of the Zimmerman di-π-methane rearrangement of dibenzobarrelene. Angewandte Chemie (International Ed. in English). 51: 13097-100. PMID 23184767 DOI: 10.1002/Anie.201208002  0.74
2012 Liang Y, Mackey JL, Lopez SA, Liu F, Houk KN. Control and design of mutual orthogonality in bioorthogonal cycloadditions. Journal of the American Chemical Society. 134: 17904-7. PMID 23061442 DOI: 10.1021/Ja309241E  0.698
2012 Yang X, Bumbu VD, Liu P, Li X, Jiang H, Uffman EW, Guo L, Zhang W, Jiang X, Houk KN, Birman VB. Catalytic, enantioselective N-acylation of lactams and thiolactams using amidine-based catalysts. Journal of the American Chemical Society. 134: 17605-12. PMID 23030692 DOI: 10.1021/Ja306766N  0.506
2012 Petric A, Johnson SA, Pham HV, Li Y, Ceh S, Golobic A, Agdeppa ED, Timbol G, Liu J, Keum G, Satyamurthy N, Kepe V, Houk KN, Barrio JR. Dicyanovinylnaphthalenes for neuroimaging of amyloids and relationships of electronic structures and geometries to binding affinities. Proceedings of the National Academy of Sciences of the United States of America. 109: 16492-7. PMID 23012452 DOI: 10.1073/Pnas.1214134109  0.545
2012 Kheirabadi M, Çelebi-Ölçüm N, Parker MF, Zhao Q, Kiss G, Houk KN, Schafmeister CE. Spiroligozymes for transesterifications: design and relationship of structure to activity. Journal of the American Chemical Society. 134: 18345-53. PMID 22992057 DOI: 10.1021/Ja3069648  0.606
2012 Wang H, Kohler P, Overman LE, Houk KN. Origins of stereoselectivities of dihydroxylations of cis-bicyclo[3.3.0]octenes. Journal of the American Chemical Society. 134: 16054-8. PMID 22954350 DOI: 10.1021/Ja3075538  0.408
2012 Schnermann MJ, Untiedt NL, Jiménez-Osés G, Houk KN, Overman LE. Forming tertiary organolithiums and organocuprates from nitrile precursors and their bimolecular reactions with carbon electrophiles to form quaternary carbon stereocenters. Angewandte Chemie (International Ed. in English). 51: 9581-6. PMID 22927041 DOI: 10.1002/Anie.201205001  0.62
2012 Yang X, Liu P, Houk KN, Birman VB. Manifestation of Felkin-Anh control in enantioselective acyl transfer catalysis: kinetic resolution of carboxylic acids. Angewandte Chemie (International Ed. in English). 51: 9638-42. PMID 22915544 DOI: 10.1002/Anie.201203327  0.442
2012 Nosrati GR, Houk KN. Using catalytic atom maps to predict the catalytic functions present in enzyme active sites. Biochemistry. 51: 7321-9. PMID 22909276 DOI: 10.1021/Bi3008438  0.772
2012 Bronner SM, Mackey JL, Houk KN, Garg NK. Steric effects compete with aryne distortion to control regioselectivities of nucleophilic additions to 3-silylarynes. Journal of the American Chemical Society. 134: 13966-9. PMID 22876797 DOI: 10.1021/Ja306723R  0.376
2012 Richter F, Blomberg R, Khare SD, Kiss G, Kuzin AP, Smith AJ, Gallaher J, Pianowski Z, Helgeson RC, Grjasnow A, Xiao R, Seetharaman J, Su M, Vorobiev S, Lew S, ... ... Houk KN, et al. Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. Journal of the American Chemical Society. 134: 16197-206. PMID 22871159 DOI: 10.1021/Ja3037367  0.591
2012 Giri R, Lan Y, Liu P, Houk KN, Yu JQ. Understanding reactivity and stereoselectivity in palladium-catalyzed diastereoselective sp3 C-H bond activation: intermediate characterization and computational studies. Journal of the American Chemical Society. 134: 14118-26. PMID 22830301 DOI: 10.1021/Ja304643E  0.511
2012 Krenske EH, Agopcan S, Aviyente V, Houk KN, Johnson BA, Holmes AB. Causation in a cascade: the origins of selectivities in intramolecular nitrone cycloadditions. Journal of the American Chemical Society. 134: 12010-5. PMID 22788115 DOI: 10.1021/Ja300002K  0.692
2012 Black K, Liu P, Xu L, Doubleday C, Houk KN. Dynamics, transition states, and timing of bond formation in Diels-Alder reactions. Proceedings of the National Academy of Sciences of the United States of America. 109: 12860-5. PMID 22753502 DOI: 10.1073/Pnas.1209316109  0.649
2012 Bellomo A, Celebi-Olcum N, Bu X, Rivera N, Ruck RT, Welch CJ, Houk KN, Dreher SD. Rapid catalyst identification for the synthesis of the pyrimidinone core of HIV integrase inhibitors. Angewandte Chemie (International Ed. in English). 51: 6912-5. PMID 22689502 DOI: 10.1002/Anie.201201720  0.319
2012 Liu P, Yang X, Birman VB, Houk KN. Origin of enantioselectivity in benzotetramisole-catalyzed dynamic kinetic resolution of azlactones. Organic Letters. 14: 3288-91. PMID 22686505 DOI: 10.1021/Ol301243F  0.533
2012 Khersonsky O, Kiss G, Röthlisberger D, Dym O, Albeck S, Houk KN, Baker D, Tawfik DS. Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proceedings of the National Academy of Sciences of the United States of America. 109: 10358-63. PMID 22685214 DOI: 10.1073/Pnas.1121063109  0.553
2012 Xu X, Liu P, Lesser A, Sirois LE, Wender PA, Houk KN. Ligand effects on rates and regioselectivities of Rh(I)-catalyzed (5 + 2) cycloadditions: a computational study of cyclooctadiene and dinaphthocyclooctatetraene as ligands. Journal of the American Chemical Society. 134: 11012-25. PMID 22668243 DOI: 10.1021/Ja3041724  0.519
2012 Krenske EH, Perry EW, Jerome SV, Maimone TJ, Baran PS, Houk KN. Why a proximity-induced Diels-Alder reaction is so fast. Organic Letters. 14: 3016-9. PMID 22630569 DOI: 10.1021/Ol301083Q  0.684
2012 Pham HV, Martin DB, Vanderwal CD, Houk KN. The Intramolecular Diels-Alder Reaction of Tryptamine-Derived Zincke Aldehydes Is a Stepwise Process. Chemical Science (Royal Society of Chemistry : 2010). 2012: 1650-1655. PMID 22611483 DOI: 10.1039/C2Sc01072K  0.471
2012 Felnagle EA, Chaubey A, Noey EL, Houk KN, Liao JC. Engineering synthetic recursive pathways to generate non-natural small molecules. Nature Chemical Biology. 8: 518-26. PMID 22596203 DOI: 10.1038/Nchembio.959  0.785
2012 Gordon CG, Mackey JL, Jewett JC, Sletten EM, Houk KN, Bertozzi CR. Reactivity of biarylazacyclooctynones in copper-free click chemistry. Journal of the American Chemical Society. 134: 9199-208. PMID 22553995 DOI: 10.1021/Ja3000936  0.473
2012 Sader CA, Houk KN. A theoretical study of cyclohexyne addition to carbonyl-Cα bonds: allowed and forbidden electrocyclic and nonpericyclic ring-openings of strained cyclobutenes. The Journal of Organic Chemistry. 77: 4939-48. PMID 22537557 DOI: 10.1021/Jo300314Z  0.809
2012 Herbert MB, Lan Y, Keitz BK, Liu P, Endo K, Day MW, Houk KN, Grubbs RH. Decomposition pathways of Z-selective ruthenium metathesis catalysts. Journal of the American Chemical Society. 134: 7861-6. PMID 22500642 DOI: 10.1021/Ja301108M  0.487
2012 Nosrati GR, Houk KN. SABER: a computational method for identifying active sites for new reactions. Protein Science : a Publication of the Protein Society. 21: 697-706. PMID 22492397 DOI: 10.1002/Pro.2055  0.786
2012 Lam YH, Houk KN, Scheffler U, Mahrwald R. Stereoselectivities of histidine-catalyzed asymmetric aldol additions and contrasts with proline catalysis: a quantum mechanical analysis. Journal of the American Chemical Society. 134: 6286-95. PMID 22458689 DOI: 10.1021/Ja2118392  0.471
2012 Hotta K, Chen X, Paton RS, Minami A, Li H, Swaminathan K, Mathews II, Watanabe K, Oikawa H, Houk KN, Kim CY. Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis. Nature. 483: 355-8. PMID 22388816 DOI: 10.1038/Nature10865  0.635
2012 Privett HK, Kiss G, Lee TM, Blomberg R, Chica RA, Thomas LM, Hilvert D, Houk KN, Mayo SL. Iterative approach to computational enzyme design. Proceedings of the National Academy of Sciences of the United States of America. 109: 3790-5. PMID 22357762 DOI: 10.1073/Pnas.1118082108  0.588
2012 Goetz AE, Bronner SM, Cisneros JD, Melamed JM, Paton RS, Houk KN, Garg NK. An efficient computational model to predict the synthetic utility of heterocyclic arynes. Angewandte Chemie (International Ed. in English). 51: 2758-62. PMID 22307724 DOI: 10.1002/Anie.201108863  0.625
2012 Khakshoor O, Wheeler SE, Houk KN, Kool ET. Measurement and theory of hydrogen bonding contribution to isosteric DNA base pairs. Journal of the American Chemical Society. 134: 3154-63. PMID 22300089 DOI: 10.1021/Ja210475A  0.574
2012 DiRocco DA, Noey EL, Houk KN, Rovis T. Catalytic asymmetric intermolecular Stetter reactions of enolizable aldehydes with nitrostyrenes: computational study provides insight into the success of the catalyst. Angewandte Chemie (International Ed. in English). 51: 2391-4. PMID 22282312 DOI: 10.1002/Anie.201107597  0.802
2012 Krenske EH, Davison EC, Forbes IT, Warner JA, Smith AL, Holmes AB, Houk KN. Reverse cope elimination of hydroxylamines and alkenes or alkynes: theoretical investigation of tether length and substituent effects. Journal of the American Chemical Society. 134: 2434-41. PMID 22280245 DOI: 10.1021/Ja211568K  0.689
2012 Marcheschi RJ, Li H, Zhang K, Noey EL, Kim S, Chaubey A, Houk KN, Liao JC. A synthetic recursive "+1" pathway for carbon chain elongation. Acs Chemical Biology. 7: 689-97. PMID 22242720 DOI: 10.1021/Cb200313E  0.759
2012 Liu P, Xu X, Dong X, Keitz BK, Herbert MB, Grubbs RH, Houk KN. Z-Selectivity in olefin metathesis with chelated Ru catalysts: computational studies of mechanism and selectivity. Journal of the American Chemical Society. 134: 1464-7. PMID 22229694 DOI: 10.1021/Ja2108728  0.748
2012 Jain P, Wang H, Houk KN, Antilla JC. Brønsted acid catalyzed asymmetric propargylation of aldehydes. Angewandte Chemie (International Ed. in English). 51: 1391-4. PMID 22223476 DOI: 10.1002/Anie.201107407  0.451
2012 Noey EL, Luo Y, Zhang L, Houk KN. Mechanism of gold(I)-catalyzed rearrangements of acetylenic amine-N-oxides: computational investigations lead to a new mechanism confirmed by experiment. Journal of the American Chemical Society. 134: 1078-84. PMID 22191473 DOI: 10.1021/Ja208860X  0.802
2012 Lan Y, Danheiser RL, Houk KN. Why nature eschews the concerted [2 + 2 + 2] cycloaddition of a nonconjugated cyanodiyne. Computational study of a pyridine synthesis involving an ene-Diels-Alder-bimolecular hydrogen-transfer mechanism. The Journal of Organic Chemistry. 77: 1533-8. PMID 22188179 DOI: 10.1021/Jo202424N  0.454
2012 Bogdan AR, Jerome SV, Houk KN, James K. Strained cyclophane macrocycles: impact of progressive ring size reduction on synthesis and structure. Journal of the American Chemical Society. 134: 2127-38. PMID 22133103 DOI: 10.1021/Ja208503Y  0.31
2012 List B, Wang Q, Yang X, Bumbu VD, Liu P, Li X, Jiang H, Uffman EW, Guo L, Zhang W, Jiang X, Houk KN, Birman VB. Amidine Catalyzed Kinetic Resolution of Lactams and Thiolactams Synfacts. 8: 1372-1372. DOI: 10.1055/S-0032-1317572  0.347
2012 Lan Y, Liu P, Newman SG, Lautens M, Houk KN. Theoretical study of Pd(0)-catalyzed carbohalogenation of alkenes: Mechanism and origins of reactivities and selectivities in alkyl halide reductive elimination from Pd(ii) species Chemical Science. 3: 1987-1995. DOI: 10.1039/C2Sc20103H  0.505
2012 Dieckmann A, Houk KN. Elucidation of strong cooperative effects caused by dispersion interactions in a recognition-mediated diels-alder reaction Journal of Chemical Theory and Computation. 8: 5064-5071. DOI: 10.1021/Ct300655B  0.335
2012 Alemán C, Bertran O, Houk KN, Padías AB, Hall HK. Thermodynamic and stereochemical aspects of the polymerizability of glycolide and lactide Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-012-1133-Y  0.33
2012 Matute RA, Houk KN. Inside Back Cover: The Triplet Surface of the Zimmerman Di-π-Methane Rearrangement of Dibenzobarrelene (Angew. Chem. Int. Ed. 52/2012) Angewandte Chemie International Edition. 51: 13179-13179. DOI: 10.1002/Anie.201209048  0.704
2012 Matute RA, Houk KN. Innenrücktitelbild: The Triplet Surface of the Zimmerman Di-π-Methane Rearrangement of Dibenzobarrelene (Angew. Chem. 52/2012) Angewandte Chemie. 124: 13355-13355. DOI: 10.1002/Ange.201209048  0.704
2012 Yu ZX, Liang Y, Houk KN, Wu YD, Zhang XH. Chem Is Try Computationally and Experimentally: How Will Computational Organic Chemistry Impact Organic Theories, Mechanisms, and Synthesis in the Twenty-First Century? Organic Chemistry - Breakthroughs and Perspectives. 561-601. DOI: 10.1002/9783527664801.ch15  0.708
2011 Lan Y, Wheeler SE, Houk KN. Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study. Journal of Chemical Theory and Computation. 7: 2104-2111. PMID 26606482 DOI: 10.1021/Ct200293W  0.634
2011 Çelebi-Ölçüm N, Lam YH, Richmond E, Ling KB, Smith AD, Houk KN. Pericyclic cascade with chirality transfer: reaction pathway and origin of enantioselectivity of the hetero-Claisen approach to oxindoles. Angewandte Chemie (International Ed. in English). 50: 11478-82. PMID 21976415 DOI: 10.1002/Anie.201105412  0.418
2011 Lan Y, Zou L, Cao Y, Houk KN. Computational methods to calculate accurate activation and reaction energies of 1,3-dipolar cycloadditions of 24 1,3-dipoles. The Journal of Physical Chemistry. A. 115: 13906-20. PMID 21967148 DOI: 10.1021/Jp207563H  0.494
2011 Xu L, Doubleday CE, Houk KN. Dynamics of carbene cycloadditions. Journal of the American Chemical Society. 133: 17848-54. PMID 21961828 DOI: 10.1021/Ja207051B  0.49
2011 Hein JE, Burés J, Lam YH, Hughes M, Houk KN, Armstrong A, Blackmond DG. Enamine carboxylates as stereodetermining intermediates in prolinate catalysis. Organic Letters. 13: 5644-7. PMID 21958394 DOI: 10.1021/Ol2023533  0.387
2011 Paton RS, Kim S, Ross AG, Danishefsky SJ, Houk KN. Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. Angewandte Chemie (International Ed. in English). 50: 10366-8. PMID 21910195 DOI: 10.1002/Anie.201103998  0.587
2011 Antoline JE, Krenske EH, Lohse AG, Houk KN, Hsung RP. Stereoselectivities and regioselectivities of (4 + 3) cycloadditions between allenamide-derived chiral oxazolidinone-stabilized oxyallyls and furans: experiment and theory. Journal of the American Chemical Society. 133: 14443-51. PMID 21851070 DOI: 10.1021/Ja205700P  0.665
2011 Liu LP, Malhotra D, Jin Z, Paton RS, Houk KN, Hammond GB. Gold-catalyzed, intramolecular, oxygen-transfer reactions of 2-alkynyl-1,5-diketones or 2-alkynyl-5-ketoesters: scope, expansion, and mechanistic investigations on a new [4+2] cycloaddition. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 10690-9. PMID 21830243 DOI: 10.1002/Chem.201101448  0.638
2011 Cheong PH, Legault CY, Um JM, Çelebi-Ölçüm N, Houk KN. Quantum mechanical investigations of organocatalysis: mechanisms, reactivities, and selectivities. Chemical Reviews. 111: 5042-137. PMID 21707120 DOI: 10.1021/Cr100212H  0.82
2011 Um JM, DiRocco DA, Noey EL, Rovis T, Houk KN. Quantum mechanical investigation of the effect of catalyst fluorination in the intermolecular asymmetric Stetter reaction. Journal of the American Chemical Society. 133: 11249-54. PMID 21675770 DOI: 10.1021/Ja202444G  0.806
2011 Gilboa N, Wang H, Houk KN, Marek I. Axial preferences in allylations via the Zimmerman-Traxler transition state. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 8000-4. PMID 21647996 DOI: 10.1002/Chem.201101049  0.322
2011 Krenske EH, Petter RC, Zhu Z, Houk KN. Transition states and energetics of nucleophilic additions of thiols to substituted α,β-unsaturated ketones: substituent effects involve enone stabilization, product branching, and solvation. The Journal of Organic Chemistry. 76: 5074-81. PMID 21574592 DOI: 10.1021/Jo200761W  0.679
2011 Wang H, Houk KN, Allen DA, Jung ME. Computational elucidation of the origins of reactivity and selectivity in non-aldol aldol rearrangements of cyclic epoxides. Organic Letters. 13: 3238-41. PMID 21568276 DOI: 10.1021/Ol2011488  0.347
2011 Liu P, Montgomery J, Houk KN. Ligand steric contours to understand the effects of N-heterocyclic carbene ligands on the reversal of regioselectivity in Ni-catalyzed reductive couplings of alkynes and aldehydes. Journal of the American Chemical Society. 133: 6956-9. PMID 21506540 DOI: 10.1021/Ja202007S  0.462
2011 Quasdorf KW, Antoft-Finch A, Liu P, Silberstein AL, Komaromi A, Blackburn T, Ramgren SD, Houk KN, Snieckus V, Garg NK. Suzuki-Miyaura cross-coupling of aryl carbamates and sulfamates: experimental and computational studies. Journal of the American Chemical Society. 133: 6352-63. PMID 21456551 DOI: 10.1021/Ja200398C  0.46
2011 Çelebi-Ölçüm N, Boal BW, Huters AD, Garg NK, Houk KN. Why do some Fischer indolizations fail? Journal of the American Chemical Society. 133: 5752-5. PMID 21443189 DOI: 10.1021/Ja201035B  0.386
2011 Noey EL, Wang X, Houk KN. Selective gold(I)-catalyzed formation of tetracyclic indolines: a single transition structure and bifurcations lead to multiple products. The Journal of Organic Chemistry. 76: 3477-83. PMID 21428454 DOI: 10.1021/Jo200556F  0.812
2011 Kim M, Hohman JN, Cao Y, Houk KN, Ma H, Jen AK, Weiss PS. Creating favorable geometries for directing organic photoreactions in alkanethiolate monolayers. Science (New York, N.Y.). 331: 1312-5. PMID 21393542 DOI: 10.1126/Science.1200830  0.341
2011 Liu P, Krische MJ, Houk KN. Mechanism and origins of regio- and enantioselectivities in RhI-catalyzed hydrogenative couplings of 1,3-diynes and activated carbonyl partners: intervention of a cumulene intermediate. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 4021-9. PMID 21365696 DOI: 10.1002/Chem.201002741  0.526
2011 Paton RS, Steinhardt SE, Vanderwal CD, Houk KN. Unraveling the mechanism of cascade reactions of zincke aldehydes. Journal of the American Chemical Society. 133: 3895-905. PMID 21351736 DOI: 10.1021/Ja107988B  0.609
2011 Tadić JM, Xu L, Houk KN, Moortgat GK. Photooxidation of n-octanal in air: experimental and theoretical study. The Journal of Organic Chemistry. 76: 1614-20. PMID 21319759 DOI: 10.1021/jo102133m  0.407
2011 Kuzmanich G, Spänig F, Tsai CK, Um JM, Hoekstra RM, Houk KN, Guldi DM, Garcia-Garibay MA. Oxyallyl exposed: an open-shell singlet with picosecond lifetimes in solution but persistent in crystals of a cyclobutanedione precursor. Journal of the American Chemical Society. 133: 2342-5. PMID 21299211 DOI: 10.1021/Ja109494B  0.761
2011 Khersonsky O, Röthlisberger D, Wollacott AM, Murphy P, Dym O, Albeck S, Kiss G, Houk KN, Baker D, Tawfik DS. Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution. Journal of Molecular Biology. 407: 391-412. PMID 21277311 DOI: 10.1016/J.Jmb.2011.01.041  0.565
2011 Hotta K, Chen X, Paton RS, Minami A, Li H, Swaminathan K, Mathews I, Watanabe K, Oikawa H, Houk KN, Kim C-. Structural study of enzymatic anti-Baldwin ring closure in polyether formation Acta Crystallographica Section a Foundations of Crystallography. 67: C216-C216. DOI: 10.1107/S0108767311094645  0.536
2011 Siegel JB, Zanghellini A, Lovick HM, Kiss G, Lambert AR, Clair JLS, Gallaher JL, Hilvert D, Gelb MH, Stoddard BL, Houk KN, Michael FE, Baker D. A Biocatalytic Diels-Alder Reaction Using a DesignedEnzyme Synfacts. 2011: 323-323. DOI: 10.1055/S-0030-1259455  0.636
2011 Cao Y, Houk KN. Computational assessment of 1,3-dipolar cycloadditions to graphene Journal of Materials Chemistry. 21: 1503-1508. DOI: 10.1039/C0Jm02422H  0.303
2011 Lan Y, Wheeler SE, Houk KN. Extraordinary difference in reactivity of ozone (OOO) and sulfur dioxide (OSO): A theoretical study Journal of Chemical Theory and Computation. 7: 2104-2111. DOI: 10.1021/ct200293w  0.53
2011 Krenske EH, Houk KN, Holmes AB, Thompson J. Entropy versus tether strain effects on rates of intramolecular 1,3-dipolar cycloadditions of N-alkenylnitrones Tetrahedron Letters. 52: 2181-2184. DOI: 10.1016/J.Tetlet.2010.11.121  0.671
2011 Liu P, Houk K. Theoretical studies of regioselectivity of Ni- and Rh-catalyzed C–C bond forming reactions with unsymmetrical alkynes Inorganica Chimica Acta. 369: 2-14. DOI: 10.1016/J.Ica.2010.12.042  0.55
2010 Dedeoglu B, Catak S, Houk KN, Aviyente V. A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols. Chemcatchem. 2: 1122-1129. PMID 22368722 DOI: 10.1002/Cctc.201000065  0.369
2010 Krenske EH, Houk KN, Lohse AG, Antoline JE, Hsung RP. Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones. Chemical Science (Royal Society of Chemistry : 2010). 1: 387-392. PMID 21572919 DOI: 10.1039/C0Sc00280A  0.688
2010 Im GY, Bronner SM, Goetz AE, Paton RS, Cheong PH, Houk KN, Garg NK. Indolyne experimental and computational studies: synthetic applications and origins of selectivities of nucleophilic additions. Journal of the American Chemical Society. 132: 17933-44. PMID 21114321 DOI: 10.1021/Ja1086485  0.81
2010 Krenske EH, Houk KN, Lim D, Wengryniuk SE, Coltart DM. Origins of stereoselectivity in the α-alkylation of chiral hydrazones. The Journal of Organic Chemistry. 75: 8578-84. PMID 21070023 DOI: 10.1021/Jo1019877  0.66
2010 Lohse AG, Krenske EH, Antoline JE, Houk KN, Hsung RP. Regioselectivities of (4 + 3) cycloadditions between furans and oxazolidinone-substituted oxyallyls. Organic Letters. 12: 5506-9. PMID 21049917 DOI: 10.1021/Ol1023745  0.666
2010 Liu LP, Malhotra D, Paton RS, Houk KN, Hammond GB. The [4+2], not [2+2], mechanism occurs in the gold-catalyzed intramolecular oxygen transfer reaction of 2-alkynyl-1,5-diketones. Angewandte Chemie (International Ed. in English). 49: 9132-5. PMID 21031394 DOI: 10.1002/Anie.201005514  0.611
2010 Jung ME, Zhang TH, Lui RM, Gutierrez O, Houk KN. Synthesis of a trans,syn,trans-dodecahydrophenanthrene via a bicyclic transannular Diels-Alder reaction: intermediate for the synthesis of fusidic acid. The Journal of Organic Chemistry. 75: 6933-40. PMID 20843028 DOI: 10.1021/Jo101533H  0.644
2010 Kiss G, Röthlisberger D, Baker D, Houk KN. Evaluation and ranking of enzyme designs. Protein Science : a Publication of the Protein Society. 19: 1760-73. PMID 20665693 DOI: 10.1002/Pro.462  0.574
2010 Siegel JB, Zanghellini A, Lovick HM, Kiss G, Lambert AR, St Clair JL, Gallaher JL, Hilvert D, Gelb MH, Stoddard BL, Houk KN, Michael FE, Baker D. Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction. Science (New York, N.Y.). 329: 309-13. PMID 20647463 DOI: 10.1126/Science.1190239  0.649
2010 Allemann C, Um JM, Houk KN. Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions. Journal of Molecular Catalysis. a, Chemical. 324: 31-38. PMID 20634993 DOI: 10.1016/J.Molcata.2010.03.020  0.769
2010 Liu P, Sirois LE, Cheong PH, Yu ZX, Hartung IV, Rieck H, Wender PA, Houk KN. Electronic and steric control of regioselectivities in Rh(I)-catalyzed (5 + 2) cycloadditions: experiment and theory. Journal of the American Chemical Society. 132: 10127-35. PMID 20586494 DOI: 10.1021/Ja103253D  0.827
2010 Paton RS, Mackey JL, Kim WH, Lee JH, Danishefsky SJ, Houk KN. Origins of stereoselectivity in the trans Diels-Alder paradigm. Journal of the American Chemical Society. 132: 9335-40. PMID 20557046 DOI: 10.1021/Ja1009162  0.673
2010 St-Cyr DJ, Morin MS, Bélanger-Gariépy F, Arndtsen BA, Krenske EH, Houk KN. Phospha-Münchnones: electronic structures and 1,3-dipolar cycloadditions. The Journal of Organic Chemistry. 75: 4261-73. PMID 20481447 DOI: 10.1021/Jo1008383  0.676
2010 Wheeler SE, Houk KN. Are anion/pi interactions actually a case of simple charge-dipole interactions? The Journal of Physical Chemistry. A. 114: 8658-64. PMID 20433187 DOI: 10.1021/Jp1010549  0.56
2010 Um JM, Kaka NS, Hodgson DM, Houk KN. Transition states and origins of 1,4-asymmetric induction in alkylations of 2,2,6-trialkylpiperidine enamines. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 6310-6. PMID 20411546 DOI: 10.1002/Chem.201000046  0.776
2010 Jones GO, Liu P, Houk KN, Buchwald SL. Computational explorations of mechanisms and ligand-directed selectivities of copper-catalyzed Ullmann-type reactions. Journal of the American Chemical Society. 132: 6205-13. PMID 20387898 DOI: 10.1021/Ja100739H  0.768
2010 Um JM, Gutierrez O, Schoenebeck F, Houk KN, Macmillan DWC. Nature of intermediates in organo-somo catalysis of α-arylation of aldehydes Journal of the American Chemical Society. 132: 6001-6005. PMID 20387888 DOI: 10.1021/Ja9063074  0.808
2010 Wheeler SE, Houk KN. Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals. Journal of Chemical Theory and Computation. 6: 395-404. PMID 20305831 DOI: 10.1021/Ct900639J  0.581
2010 Gül S, Schoenebeck F, Aviyente V, Houk KN. Computational study of factors controlling the boat and chair transition states of Ireland-Claisen rearrangements. The Journal of Organic Chemistry. 75: 2115-8. PMID 20166688 DOI: 10.1021/Jo100033D  0.31
2010 Wheeler SE, McNeil AJ, Müller P, Swager TM, Houk KN. Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions. Journal of the American Chemical Society. 132: 3304-11. PMID 20158182 DOI: 10.1021/Ja903653J  0.647
2010 Xu L, Doubleday CE, Houk KN. Dynamics of 1,3-dipolar cycloadditions: energy partitioning of reactants and quantitation of synchronicity. Journal of the American Chemical Society. 132: 3029-37. PMID 20148587 DOI: 10.1021/Ja909372F  0.54
2010 Schoenebeck F, Houk KN. Ligand-controlled regioselectivity in palladium-catalyzed cross coupling reactions. Journal of the American Chemical Society. 132: 2496-7. PMID 20121156 DOI: 10.1021/Ja9077528  0.307
2010 Liu P, McCarren P, Cheong PH, Jamison TF, Houk KN. Origins of regioselectivity and alkene-directing effects in nickel-catalyzed reductive couplings of alkynes and aldehydes. Journal of the American Chemical Society. 132: 2050-7. PMID 20095609 DOI: 10.1021/Ja909562Y  0.799
2010 Krenske EH, Houk KN, Harmata M. Origin of stereoselectivity in the (4 + 3) cycloadditions of chiral alkoxy siloxyallyl cations with furan. Organic Letters. 12: 444-7. PMID 20063884 DOI: 10.1021/Ol902591K  0.635
2010 Hargis JC, Schaefer HF, Houk KN, Wheeler SE. Noncovalent interactions of a benzo[a]pyrene diol epoxide with DNA base pairs: insight into the formation of adducts of (+)-BaP DE-2 with DNA. The Journal of Physical Chemistry. A. 114: 2038-44. PMID 20063873 DOI: 10.1021/Jp911376P  0.562
2010 Cheong PH, Paton RS, Bronner SM, Im GY, Garg NK, Houk KN. Indolyne and aryne distortions and nucleophilic regioselectivites. Journal of the American Chemical Society. 132: 1267-9. PMID 20058924 DOI: 10.1021/Ja9098643  0.814
2010 Hayden AE, Paton RS, Becker J, Lim YH, Nicolaou KC, Houk KN. Origins of regioselectivity of Diels-Alder reactions for the synthesis of bisanthraquinone antibiotic BE-43472B. The Journal of Organic Chemistry. 75: 922-8. PMID 20027998 DOI: 10.1021/Jo902572Y  0.668
2010 Celebi-Olçüm N, Aviyente V, Houk KN. Mechanism and selectivity of cinchona alkaloid catalyzed [1,3]-shifts of allylic trichloroacetimidates. The Journal of Organic Chemistry. 74: 6944-52. PMID 19689147 DOI: 10.1021/Jo901109S  0.451
2010 Barman DN, Liu P, Houk KN, Nicholas KM. On the mechanism of ligand-assisted, copper-catalyzed benzylic amination by chloramine-T Organometallics. 29: 3404-3412. DOI: 10.1021/Om100427S  0.52
2010 Krenske EH, Houk KN, Harmata M. Origin of stereoselectivity in the (4 + 3) cycloadditions of chiral alkoxy siloxyallyl cations with furan Organic Letters. 12: 444-447. DOI: 10.1021/ol902591k  0.588
2010 Lan Y, Houk KN. Mechanism and stereoselectivity of the stepwise 1,3-dipolar cycloadditions between a thiocarbonyl ylide and electron-deficient dipolarophiles: A computational investigation Journal of the American Chemical Society. 132: 17921-17927. DOI: 10.1021/Ja108432B  0.413
2010 Liu P, Sirois LE, Cheong PH, Yu Z, Hartung IV, Rieck H, Wender PA, Houk KN. ChemInform Abstract: Electronic and Steric Control of Regioselectivities in Rh(I)-Catalyzed [5 + 2] Cycloadditions: Experiment and Theory. Cheminform. 42: no-no. DOI: 10.1002/chin.201102071  0.601
2010 WIEST O, HOUK KN. ChemInform Abstract: Density Functional Theory Calculations of Pericyclic Reaction Transition Structures Cheminform. 28: no-no. DOI: 10.1002/chin.199714335  0.558
2010 THOMAS BEI, EVANSECK JD, HOUK KN. ChemInform Abstract: Transition Structures of the Electrocyclic Reactions of cis,cis,cis-1, 3,5-Cyclooctatriene Cheminform. 25: no-no. DOI: 10.1002/chin.199414041  0.603
2010 NAHM K, LI Y, EVANSECK JD, HOUK KN, FOOTE CS. ChemInform Abstract: Structures and Energies of Intermediates in the Reactions of Singlet Oxygen with Organic Phosphines and Sulfides. Cheminform. 24: no-no. DOI: 10.1002/chin.199341121  0.708
2010 THOMAS BEI, EVANSECK JD, HOUK KN. ChemInform Abstract: Electrocyclic Reactions of 1-Substituted 1,3,5,7-Octatetraenes (I) and (II). An ab initio Molecular Orbital Study of Torquoselectivity in Eight-Electron Electrocyclizations. Cheminform. 24: no-no. DOI: 10.1002/chin.199341035  0.648
2010 HOUK KN, LI Y, EVANSECK JD. ChemInform Abstract: Transition Structures of Hydrocarbon Pericyclic Reactions Cheminform. 23: no-no. DOI: 10.1002/chin.199238322  0.652
2010 EVANSECK JD, HOUK KN. ChemInform Abstract: Stereoselectivity of Hydrogen 1,2-Shifts in Singlet Alkylcarbenes: A Quantitative Theoretical Assessment of Ground-State Orbital Alignment and Torsional and Steric Effects Cheminform. 22: no-no. DOI: 10.1002/chin.199112101  0.612
2009 Wheeler SE, Houk KN. Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes. Journal of Chemical Theory and Computation. 5: 2301-2312. PMID 20161573 DOI: 10.1021/Ct900344G  0.602
2009 Canterbury DP, Herrick IR, Um J, Houk KN, Frontier AJ. A Torquoselective Extrusion of Isoxazoline N-Oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization. Tetrahedron. 65: 3165-3179. PMID 20161228 DOI: 10.1016/J.Tet.2008.10.003  0.755
2009 Wheeler SE, Houk KN. Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions. Molecular Physics. 107: 749-760. PMID 20046948 DOI: 10.1080/00268970802537614  0.612
2009 Chen X, Regan CK, Craig SL, Krenske EH, Houk KN, Jorgensen WL, Brauman JI. Steric and solvation effects in ionic S(N)2 reactions. Journal of the American Chemical Society. 131: 16162-70. PMID 19842649 DOI: 10.1021/Ja9053459  0.636
2009 Gutierrez O, Iafe RG, Houk KN. Origin of stereoselectivity in the imidazolidinone-catalyzed reductions of cyclic alpha,beta-unsaturated ketones. Organic Letters. 11: 4298-301. PMID 19722547 DOI: 10.1021/Ol901586T  0.622
2009 Wheeler SE, Moran A, Pieniazek SN, Houk KN. Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and alpha-aminoxylation reactions. The Journal of Physical Chemistry. A. 113: 10376-84. PMID 19711937 DOI: 10.1021/Jp9058565  0.825
2009 Hayden AE, DeChancie J, George AH, Dai M, Yu M, Danishefsky SJ, Houk KN. Origins of the regioselectivities in the Diels-Alder reactions of vinylindenes with 1,4-quinone monoketal and acrolein dienophiles. The Journal of Organic Chemistry. 74: 6770-6. PMID 19663431 DOI: 10.1021/Jo901473H  0.459
2009 Alemán C, Betran O, Casanovas J, Houk KN, Hall HK. Thermodynamic control of the polymerizability of five-, six-, and seven-membered lactones. The Journal of Organic Chemistry. 74: 6237-44. PMID 19606838 DOI: 10.1021/Jo9010969  0.35
2009 Jackson MI, Han TH, Serbulea L, Dutton A, Ford E, Miranda KM, Houk KN, Wink DA, Fukuto JM. Kinetic feasibility of nitroxyl reduction by physiological reductants and biological implications. Free Radical Biology & Medicine. 47: 1130-9. PMID 19577638 DOI: 10.1016/J.Freeradbiomed.2009.06.034  0.349
2009 Krenske EH, Pryor WA, Houk KN. Mechanism of S(H)2 reactions of disulfides: frontside vs backside, stepwise vs concerted. The Journal of Organic Chemistry. 74: 5356-60. PMID 19548657 DOI: 10.1021/Jo900834M  0.634
2009 Smith AJ, Li Y, Houk KN. Quantum mechanics/molecular mechanics investigation of the mechanism of phosphate transfer in human uridine-cytidine kinase 2. Organic & Biomolecular Chemistry. 7: 2716-24. PMID 19532987 DOI: 10.1039/B901429B  0.389
2009 Schoenebeck F, Ess DH, Jones GO, Houk KN. Reactivity and regioselectivity in 1,3-dipolar cycloadditions of azides to strained alkynes and alkenes: a computational study. Journal of the American Chemical Society. 131: 8121-33. PMID 19459632 DOI: 10.1021/Ja9003624  0.726
2009 Um JM, Xu H, Houk KN, Tang W. Thermodynamic control of the electrocyclic ring opening of cyclobutenes: C=X substituents at C-3 mask the kinetic torquoselectivity. Journal of the American Chemical Society. 131: 6664-5. PMID 19402639 DOI: 10.1021/Ja9016446  0.766
2009 McCarren PR, Liu P, Cheong PH, Jamison TF, Houk KN. Mechanism and transition-state structures for nickel-catalyzed reductive alkyne-aldehyde coupling reactions. Journal of the American Chemical Society. 131: 6654-5. PMID 19397371 DOI: 10.1021/Ja900701G  0.782
2009 Gunaydin H, Houk KN. Mechanisms of peroxynitrite-mediated nitration of tyrosine. Chemical Research in Toxicology. 22: 894-8. PMID 19374346 DOI: 10.1021/Tx800463Y  0.363
2009 Garcia Y, Schoenebeck F, Legault CY, Merlic CA, Houk KN. Theoretical bond dissociation energies of halo-heterocycles: trends and relationships to regioselectivity in palladium-catalyzed cross-coupling reactions. Journal of the American Chemical Society. 131: 6632-9. PMID 19368385 DOI: 10.1021/Ja9004927  0.718
2009 Hayden AE, Houk KN. Transition state distortion energies correlate with activation energies of 1,4-dihydrogenations and Diels-Alder cycloadditions of aromatic molecules. Journal of the American Chemical Society. 131: 4084-9. PMID 19256544 DOI: 10.1021/Ja809142X  0.434
2009 Xu L, Doubleday CE, Houk KN. Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: bending vibrations facilitate reaction. Angewandte Chemie (International Ed. in English). 48: 2746-8. PMID 19235191 DOI: 10.1002/Anie.200805906  0.508
2009 Wheeler SE, Houk KN. Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents. Journal of the American Chemical Society. 131: 3126-7. PMID 19219986 DOI: 10.1021/Ja809097R  0.587
2009 Zhu H, Clemente FR, Houk KN, Meyer MP. Rate limiting step precedes C-C bond formation in the archetypical proline-catalyzed intramolecular aldol reaction. Journal of the American Chemical Society. 131: 1632-3. PMID 19191687 DOI: 10.1021/Ja806672Y  0.462
2009 Wheeler SE, Houk KN, Schleyer Pv, Allen WD. A hierarchy of homodesmotic reactions for thermochemistry. Journal of the American Chemical Society. 131: 2547-60. PMID 19182999 DOI: 10.1021/Ja805843N  0.66
2009 Schoenebeck F, Houk KN. Theoretical study of the catalysis of cyanohydrin formation by the cyclic dipeptide catalyst cyclo[(S)-His-(S)-Phe]. The Journal of Organic Chemistry. 74: 1464-72. PMID 19161315 DOI: 10.1021/Jo801958R  0.441
2009 Lam YH, Cheong PH, Blasco Mata JM, Stanway SJ, Gouverneur V, Houk KN. Diels-Alder exo selectivity in terminal-substituted dienes and dienophiles: experimental discoveries and computational explanations. Journal of the American Chemical Society. 131: 1947-57. PMID 19154113 DOI: 10.1021/Ja8079548  0.756
2009 Hodgson DM, Bray CD, Kindon ND, Reynolds NJ, Coote SJ, Um JM, Houk KN. Synthesis and C-alkylation of hindered aldehyde enamines. The Journal of Organic Chemistry. 74: 1019-28. PMID 19105636 DOI: 10.1021/Jo802016T  0.769
2009 Zhao YL, Flora JW, Thweatt WD, Garrison SL, Gonzalez C, Houk KN, Marquez M. Phosphine polymerization by nitric oxide: experimental characterization and theoretical predictions of mechanism. Inorganic Chemistry. 48: 1223-31. PMID 19102679 DOI: 10.1021/Ic801917A  0.471
2009 Penoni A, Palmisano G, Zhao YL, Houk KN, Volkman J, Nicholas KM. On the mechanism of nitrosoarene-alkyne cycloaddition. Journal of the American Chemical Society. 131: 653-61. PMID 19093864 DOI: 10.1021/Ja806715U  0.605
2009 Paddon-Row MN, Anderson CD, Houk KN. Computational evaluation of enantioselective Diels-Alder reactions mediated by Corey's cationic oxazaborolidine catalysts. The Journal of Organic Chemistry. 74: 861-8. PMID 19067584 DOI: 10.1021/Jo802323P  0.321
2009 Smith AJ, Zhang X, Leach AG, Houk KN. Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins. Journal of Medicinal Chemistry. 52: 225-33. PMID 19053779 DOI: 10.1021/Jm800498E  0.618
2009 Canterbury DP, Herrick IR, Um J, Houk KN, Frontier AJ. ChemInform Abstract: A Torquoselective Extrusion of Isoxazoline N-Oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization. Cheminform. 40. DOI: 10.1002/chin.200933137  0.708
2009 Canterbury DP, Frontier AJ, Um JM, Cheong PH, Goldfeld DA, Huhn RA, Houk KN. ChemInform Abstract: Origins of Stereoselectivity in the Oxido-Alkylidenation of Alkynes. Cheminform. 40. DOI: 10.1002/chin.200910073  0.719
2008 Stanton CL, Houk KN. Benchmarking pKa Prediction Methods for Residues in Proteins. Journal of Chemical Theory and Computation. 4: 951-66. PMID 26621236 DOI: 10.1021/Ct8000014  0.774
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