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

449 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any innacuracies, 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
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  0.84
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  1
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  0.76
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  0.96
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  0.72
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  0.32
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  0.92
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  0.88
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  0.88
2018 Lin JB, Darzi ER, Jasti R, Yavuz I, Houk KN. Solid-state order and charge mobility in [5]-[12] cycloparaphenylenes. Journal of the American Chemical Society. PMID 30543112 DOI: 10.1021/jacs.8b10699  0.72
2018 Chen S, Chan AY, Walker MM, Ellman JA, Houk KN. π-Facial Selectivities in Hydride Reductions of Hindered Endocyclic Iminium Ions. The Journal of Organic Chemistry. PMID 30516383 DOI: 10.1021/acs.joc.8b02603  0.8
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  0.92
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  1
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  0.84
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  0.88
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  0.88
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  0.92
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  0.92
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  0.92
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  0.84
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  0.88
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  0.88
2018 Picazo E, Anthony SM, Giroud M, Simon A, Miller MA, Houk KN, Garg NK. Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers. Journal of the American Chemical Society. PMID 29716194 DOI: 10.1021/jacs.8b02875  0.76
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  0.92
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  0.68
2018 Levandowski BJ, Gamache RF, Murphy JM, Houk KN. Readily Accessible Ambiphilic Cyclopentadienes for Bioorthogonal Labeling. Journal of the American Chemical Society. PMID 29712423 DOI: 10.1021/jacs.8b02978  0.84
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  0.32
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  0.8
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  0.92
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  0.96
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  0.8
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  0.92
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  0.84
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  0.92
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  0.8
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  1
2017 Baril SA, Koenig AL, Krone MW, Albanese KI, He QC, Lee GY, Houk KN, Waters ML, Brustad EM. Investigation of Trimethyllysine Binding by the HP1 Chro-modomain via Unnatural Amino Acid Mutagenesis. Journal of the American Chemical Society. PMID 29111699 DOI: 10.1021/jacs.7b09223  0.68
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  0.92
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  1
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  0.32
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  1
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  0.84
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  1
2017 Narayanam MK, Ma G, Champagne PA, Houk KN, Murphy J. Synthesis of [18F]Fluoroarenes via Nucleophilic Radiofluorination of N-Arylsydnones. Angewandte Chemie (International Ed. in English). PMID 28834065 DOI: 10.1002/anie.201707274  0.32
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  0.64
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  0.88
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  0.72
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  0.96
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  1
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  0.68
2017 Lin JB, Shah TK, Goetz A, Garg NK, Houk KN. Conjugated Trimeric Scaffolds Accessible From Indolyne Cyclotrimerizations: Synthesis, Structures, and Electronic Properties. Journal of the American Chemical Society. PMID 28675700 DOI: 10.1021/jacs.7b05317  0.76
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  1
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  0.92
2017 Dziedzic RM, Martin JL, Axtell JC, Saleh LMA, Ong TC, Yang YF, Messina MS, Rheingold AL, Houk KN, Spokoyny AM. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society. PMID 28541671 DOI: 10.1021/jacs.7b04080  1
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  0.92
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  0.92
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  1
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  1
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  1
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  0.96
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  1
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  1
2017 Liu WB, Schuman DP, Yang YF, Toutov AA, Liang Y, Klare HF, Nesnas N, Oestreich M, Blackmond DG, Virgil SC, Banerjee S, Zare RN, Grubbs RH, Houk KN, Stoltz BM. KOt-Bu-Catalyzed Dehydrogenative C-H Silylation of Heteroaromatics: A Combined Experimental and Computational Mechanistic Study. Journal of the American Chemical Society. PMID 28403611 DOI: 10.1021/jacs.6b13031  1
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  1
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  0.88
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  0.56
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  0.92
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  1
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  0.92
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  0.68
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  0.36
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  1
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  0.56
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  0.92
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  0.96
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2016 Grayson MN, Houk KN. Cinchona Alkaloid-Catalyzed Asymmetric Conjugate Additions: The Bifunctional Brønsted Acid-Hydrogen Bonding Model Journal of the American Chemical Society. 138: 1170-1173. DOI: 10.1021/jacs.5b13275  1
2016 Simon A, Lam YH, Houk KN. Transition States of Vicinal Diamine-Catalyzed Aldol Reactions Journal of the American Chemical Society. 138: 503-506. DOI: 10.1021/jacs.5b12097  1
2016 Holland MC, Gilmour R, Houk KN. Importance of intermolecular hydrogen bonding for the stereochemical control of allene-enone (3+2) annulations catalyzed by a bifunctional, amino acid derived phosphine catalyst Angewandte Chemie - International Edition. 55: 2022-2027. DOI: 10.1002/anie.201508980  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.72
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.92
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  1
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  1
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  1
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  1
2015 Zhu C, Liang Y, Hong X, Sun H, Sun WY, Houk KN, Shi Z. Iodoarene-Catalyzed Stereospecific Intramolecular sp(3) C-H Amination: Reaction Development and Mechanistic Insights. Journal of the American Chemical Society. 137: 7564-7. PMID 26035639 DOI: 10.1021/jacs.5b03488  1
2015 Picazo E, Houk KN, Garg NK. Computational predictions of substituted benzyne and indolyne regioselectivities. Tetrahedron Letters. 56: 3511-3514. PMID 26034336 DOI: 10.1016/j.tetlet.2015.01.022  1
2015 Yang T, Nagase S, Akasaka T, Poblet JM, Houk KN, Ehara M, Zhao X. (2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism. Journal of the American Chemical Society. 137: 6820-8. PMID 25971783 DOI: 10.1021/jacs.5b01444  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2015 Patel A, West FG, Houk KN. Reactivity and stereoselectivity of 6π and nazarov electrocyclizations of bridged bicyclic trienes and divinyl ketones. The Journal of Organic Chemistry. 80: 2790-5. PMID 25633968 DOI: 10.1021/acs.joc.5b00070  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2015 Yavuz I, Zhang L, Briseno AL, Houk KN. Simulations of molecular ordering and charge-transport of oligo-didodecylquaterthiophenes (DDQT) Journal of Physical Chemistry C. 119: 158-165. DOI: 10.1021/jp510567d  1
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  1
2015 Hong X, Wang J, Yang YF, He L, Ho CY, Houk KN. Computational Exploration of Mechanism and Selectivities of (NHC)Nickel(II)hydride-Catalyzed Hydroalkenylations of Styrene with α-Olefins Acs Catalysis. 5: 5545-5555. DOI: 10.1021/acscatal.5b01075  1
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  1
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  1
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 Edition. 54: 12044-12048. DOI: 10.1002/anie.201505604  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2014 Bredas JL, Houk KN. DFT elucidation of materials properties. Accounts of Chemical Research. 47: 3207. PMID 25358011 DOI: 10.1021/ar5003889  1
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  1
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  1
2014 Medina JM, Mackey JL, Garg NK, Houk KN. The role of aryne distortions, steric effects, and charges in regioselectivities of aryne reactions. Journal of the American Chemical Society. 136: 15798-805. PMID 25303232 DOI: 10.1021/ja5099935  1
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  1
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  1
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  1
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  1
2014 Hong X, Küçük HB, Maji MS, Yang YF, Rueping M, Houk KN. Mechanism and selectivity of N-triflylphosphoramide catalyzed (3(+) + 2) cycloaddition between hydrazones and alkenes. Journal of the American Chemical Society. 136: 13769-80. PMID 25226575 DOI: 10.1021/ja506660c  1
2014 Gao J, Zhang JZ, Houk KN. Beyond QM/MM: fragment quantum mechanical methods. Accounts of Chemical Research. 47: 2711. PMID 25223725 DOI: 10.1021/ar500293u  0.84
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2014 Houk KN. Foreword: applied computational chemistry. Chemical Society Reviews. 43: 4905. PMID 24916988 DOI: 10.1039/c4cs90049a  1
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  1
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  1
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  1
2014 Liu F, Helgeson RC, Houk KN. Building on Cram's legacy: stimulated gating in hemicarcerands. Accounts of Chemical Research. 47: 2168-76. PMID 24802979 DOI: 10.1021/ar5001296  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2014 Hong X, Liang Y, Houk KN. Mechanisms and origins of switchable chemoselectivity of Ni-catalyzed C(aryl)-O and C(acyl)-O activation of aryl esters with phosphine ligands. Journal of the American Chemical Society. 136: 2017-25. PMID 24428154 DOI: 10.1021/ja4118413  1
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  1
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  1
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  1
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  1
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  1
2014 Hossain MA, Kim HS, Houk KN, Cheong M. Spin-crossover in chromium-catalyzed ethylene trimerization: Density functional theory study Bulletin of the Korean Chemical Society. 35: 2835-2838. DOI: 10.5012/bkcs.2014.35.9.2835  1
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  1
2014 Houk KN, Liu P. Using Computational Chemistry to Understand & Discover Chemical Reactions Daedalus. 143: 49-66. DOI: 10.1162/DAED_a_00305  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2013 Bian S, Scott AM, Cao Y, Liang Y, Osuna S, Houk KN, Braunschweig AB. Covalently patterned graphene surfaces by a force-accelerated Diels-Alder reaction. Journal of the American Chemical Society. 135: 9240-3. PMID 23758146 DOI: 10.1021/ja4042077  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2013 Patel A, Barcan GA, Kwon O, Houk KN. Origins of 1,6-stereoinduction in torquoselective 6π electrocyclizations. Journal of the American Chemical Society. 135: 4878-83. PMID 23448287 DOI: 10.1021/ja400882y  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2013 Liu F, Wang H, Houk KN. Gating in host-guest chemistry Current Organic Chemistry. 17: 1470-1480. DOI: 10.2174/1385272811317140003  1
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  1
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  1
2013 Dieckmann A, Houk KN. Analysis of supramolecular complex energetics in artificial replicators Chemical Science. 4: 3591-3600. DOI: 10.1039/c3sc51192h  1
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  1
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  1
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  1
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  1
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  1
2012 Barcan GA, Patel A, Houk KN, Kwon O. A torquoselective 6π electrocyclization approach to reserpine alkaloids. Organic Letters. 14: 5388-91. PMID 23039026 DOI: 10.1021/ol302265z  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2012 Zhao Q, Lam YH, Kheirabadi M, Xu C, Houk KN, Schafmeister CE. Hydrophobic substituent effects on proline catalysis of aldol reactions in water. The Journal of Organic Chemistry. 77: 4784-92. PMID 22500641 DOI: 10.1021/jo300569c  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.68
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  0.84
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  0.88
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  0.88
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  1
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  1
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  1
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  1
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  0.44
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  1
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  0.96
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  1
2010 Aghajan M, Jonai N, Flick K, Fu F, Luo M, Cai X, Ouni I, Pierce N, Tang X, Lomenick B, Damoiseaux R, Hao R, Del Moral PM, Verma R, Li Y, ... ... Houk KN, et al. Chemical genetics screen for enhancers of rapamycin identifies a specific inhibitor of an SCF family E3 ubiquitin ligase. Nature Biotechnology. 28: 738-42. PMID 20581845 DOI: 10.1038/nbt.1645  1
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  1
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  1
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  1
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  1
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  0.96
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  1
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  1
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  0.88
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  1
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  1
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  1
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  1
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  1
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  1
2009 Osuna S, Houk KN. Cycloaddition reactions of butadiene and 1,3-dipoles to curved arenes, fullerenes, and nanotubes: theoretical evaluation of the role of distortion energies on activation barriers. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 13219-31. PMID 19876972 DOI: 10.1002/chem.200901761  0.96
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  1
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  1
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  0.96
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  1
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  1
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  0.88
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  1
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  1
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  1
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  1
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  0.44
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  1
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  1
2008 Luft JA, Winkler T, Kessabi FM, Houk KN. Substituent effects on the rearrangements of cyclohexyl to cyclopentyl radicals involving avermectin-related radicals. The Journal of Organic Chemistry. 73: 8175-81. PMID 18842059 DOI: 10.1021/jo800923a  1
2008 Calderón F, Doyagüez EG, Cheong PH, Fernández-Mayoralas A, Houk KN. Origins of the double asymmetric induction on proline-catalyzed aldol reactions. The Journal of Organic Chemistry. 73: 7916-20. PMID 18811197 DOI: 10.1021/jo800934b  0.68
2008 Houk KN, Cheong PH. Computational prediction of small-molecule catalysts. Nature. 455: 309-13. PMID 18800129 DOI: 10.1038/nature07368  1
2008 Canterbury DP, Frontier AJ, Um JM, Cheong PH, Goldfeld DA, Huhn RA, Houk KN. Origins of stereoselectivity in the oxido-alkylidenation of alkynes. Organic Letters. 10: 4597-600. PMID 18798638 DOI: 10.1021/ol8019154  1
2008 Celebi-Olçüm N, Ess DH, Aviyente V, Houk KN. Effect of Lewis acid catalysts on Diels-Alder and hetero-Diels-Alder cycloadditions sharing a common transition state. The Journal of Organic Chemistry. 73: 7472-80. PMID 18781801 DOI: 10.1021/jo801076t  1
2008 Ess DH, Wheeler SE, Iafe RG, Xu L, Celebi-Olçüm N, Houk KN. Bifurcations on potential energy surfaces of organic reactions. Angewandte Chemie (International Ed. in English). 47: 7592-601. PMID 18767086 DOI: 10.1002/anie.200800918  1
2008 Ess DH, Hayden AE, Klärner FG, Houk KN. Transition states for the dimerization of 1,3-cyclohexadiene: a DFT, CASPT2, and CBS-QB3 quantum mechanical investigation. The Journal of Organic Chemistry. 73: 7586-92. PMID 18763823 DOI: 10.1021/jo8011804  1
2008 Pieniazek SN, Clemente FR, Houk KN. Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods. Angewandte Chemie (International Ed. in English). 47: 7746-9. PMID 18752237 DOI: 10.1002/anie.200801843  0.96
2008 Jones GO, Li X, Hayden AE, Houk KN, Danishefsky SJ. The coupling of isonitriles and carboxylic acids occurring by sequential concerted rearrangement mechanisms. Organic Letters. 10: 4093-6. PMID 18707109 DOI: 10.1021/ol8016287  1
2008 Wheeler SE, Houk KN. Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene. Journal of the American Chemical Society. 130: 10854-5. PMID 18652453 DOI: 10.1021/ja802849j  1
2008 Um JM, Houk KN, Phillips AJ. Origin of stereoselectivity in the reduction of a planar oxacarbenium. Organic Letters. 10: 3769-72. PMID 18646767 DOI: 10.1021/ol801421n  0.96
2008 Ess DH, Houk KN. Theory of 1,3-dipolar cycloadditions: distortion/interaction and frontier molecular orbital models. Journal of the American Chemical Society. 130: 10187-98. PMID 18613669 DOI: 10.1021/ja800009z  1
2008 Anderson CD, Dudding T, Gordillo R, Houk KN. Origin of enantioselection in Hetero-Diels-Alder reactions catalyzed by naphthyl-TADDOL. Organic Letters. 10: 2749-52. PMID 18507392 DOI: 10.1021/ol800875k  0.56
2008 Kessabi FM, Winkler T, Luft JA, Houk KN. Rearrangement of a cyclohexyl radical to a cyclopentylmethyl radical on the avermectin skeleton. Organic Letters. 10: 2255-8. PMID 18461948 DOI: 10.1021/ol8001283  1
2008 Bishop LM, Winkler M, Houk KN, Bergman RG, Trauner D. Mechanistic investigations of the acid-catalyzed cyclization of a vinyl ortho-quinone methide. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 5405-8. PMID 18449871 DOI: 10.1002/chem.200800662  1
2008 Pye PJ, Zhong YL, Jones GO, Reamer RA, Houk KN, Askin D. A polar radical pair pathway to assemble the pyrimidinone core of the HIV integrase inhibitor raltegravir potassium. Angewandte Chemie (International Ed. in English). 47: 4134-6. PMID 18433071 DOI: 10.1002/anie.200703681  1
2008 Liu P, Cheong PH, Yu ZX, Wender PA, Houk KN. Substituent effects, reactant preorganization, and ligand exchange control the reactivity in Rh(I)-catalyzed (5+2) cycloadditions between vinylcyclopropanes and alkynes. Angewandte Chemie (International Ed. in English). 47: 3939-41. PMID 18412215 DOI: 10.1002/anie.200800420  1
2008 Ess DH, Jones GO, Houk KN. Transition states of strain-promoted metal-free click chemistry: 1,3-dipolar cycloadditions of phenyl azide and cyclooctynes. Organic Letters. 10: 1633-6. PMID 18363405 DOI: 10.1021/ol8003657  1
2008 Röthlisberger D, Khersonsky O, Wollacott AM, Jiang L, DeChancie J, Betker J, Gallaher JL, Althoff EA, Zanghellini A, Dym O, Albeck S, Houk KN, Tawfik DS, Baker D. Kemp elimination catalysts by computational enzyme design. Nature. 453: 190-5. PMID 18354394 DOI: 10.1038/nature06879  1
2008 Cheong PH, Morganelli P, Luzung MR, Houk KN, Toste FD. Gold-catalyzed cycloisomerization of 1,5-allenynes via dual activation of an ene reaction. Journal of the American Chemical Society. 130: 4517-26. PMID 18327944 DOI: 10.1021/ja711058f  1
2008 Jiang L, Althoff EA, Clemente FR, Doyle L, Röthlisberger D, Zanghellini A, Gallaher JL, Betker JL, Tanaka F, Barbas CF, Hilvert D, Houk KN, Stoddard BL, Baker D. De novo computational design of retro-aldol enzymes. Science (New York, N.Y.). 319: 1387-91. PMID 18323453 DOI: 10.1126/science.1152692  1
2008 Gunaydin H, Houk KN, Ozolins V. Vacancy-mediated dehydrogenation of sodium alanate. Proceedings of the National Academy of Sciences of the United States of America. 105: 3673-7. PMID 18299582 DOI: 10.1073/pnas.0709224105  0.44
2008 Yu ZX, Cheong PH, Liu P, Legault CY, Wender PA, Houk KN. Origins of differences in reactivities of alkenes, alkynes, and allenes in [Rh(CO)2Cl]2-catalyzed (5 + 2) cycloaddition reactions with vinylcyclopropanes. Journal of the American Chemical Society. 130: 2378-9. PMID 18251468 DOI: 10.1021/ja076444d  1
2008 Wheeler SE, Ess DH, Houk KN. Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene. The Journal of Physical Chemistry. A. 112: 1798-807. PMID 18247512 DOI: 10.1021/jp710104d  1
2008 Jones GO, Houk KN. Predictions of substituent effects in thermal azide 1,3-dipolar cycloadditions: implications for dynamic combinatorial (reversible) and click (irreversible) chemistry. The Journal of Organic Chemistry. 73: 1333-42. PMID 18211089 DOI: 10.1021/jo702295d  1
2008 Valentine JS, Houk KN, Barbara PF. Accounts of Chemical Research. Accounts of Chemical Research. 41: 1. PMID 18193818 DOI: 10.1021/ar700276d  1
2008 Zhang X, DeChancie J, Gunaydin H, Chowdry AB, Clemente FR, Smith AJ, Handel TM, Houk KN. Quantum mechanical design of enzyme active sites. The Journal of Organic Chemistry. 73: 889-99. PMID 18179229 DOI: 10.1021/jo701974n  1
2008 Zhang H, Mitsumori S, Utsumi N, Imai M, Garcia-Delgado N, Mifsud M, Albertshofer K, Cheong PH, Houk KN, Tanaka F, Barbas CF. Catalysis of 3-pyrrolidinecarboxylic acid and related pyrrolidine derivatives in enantioselective anti-Mannich-type reactions: importance of the 3-acid group on pyrrolidine for stereocontrol. Journal of the American Chemical Society. 130: 875-86. PMID 18163619 DOI: 10.1021/ja074907+  1
2008 Tredwell M, Luft JA, Schuler M, Tenza K, Houk KN, Gouverneur V. Fluorine-directed diastereoselective iodocyclizations. Angewandte Chemie (International Ed. in English). 47: 357-60. PMID 18022878 DOI: 10.1002/anie.200703465  1
2007 Chen Z, Jiang DE, Lu X, Bettinger HF, Dai S, Schleyer Pv, Houk KN. Open-shell singlet character of cyclacenes and short zigzag nanotubes. Organic Letters. 9: 5449-52. PMID 18044906 DOI: 10.1021/ol7023339  0.72
2007 Stanton CL, Kuo IF, Mundy CJ, Laino T, Houk KN. QM/MM metadynamics study of the direct decarboxylation mechanism for orotidine-5'-monophosphate decarboxylase using two different QM regions: acceleration too small to explain rate of enzyme catalysis. The Journal of Physical Chemistry. B. 111: 12573-81. PMID 17927240 DOI: 10.1021/jp074858n  1
2007 Legault CY, Garcia Y, Merlic CA, Houk KN. Origin of regioselectivity in palladium-catalyzed cross-coupling reactions of polyhalogenated heterocycles. Journal of the American Chemical Society. 129: 12664-5. PMID 17914827 DOI: 10.1021/ja075785o  1
2007 Dechancie J, Clemente FR, Smith AJ, Gunaydin H, Zhao YL, Zhang X, Houk KN. How similar are enzyme active site geometries derived from quantum mechanical theozymes to crystal structures of enzyme-inhibitor complexes? Implications for enzyme design. Protein Science : a Publication of the Protein Society. 16: 1851-66. PMID 17766382 DOI: 10.1110/ps.072963707  1
2007 Ess DH, Houk KN. Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity. Journal of the American Chemical Society. 129: 10646-7. PMID 17685614 DOI: 10.1021/ja0734086  1
2007 Min SJ, Jones GO, Houk KN, Danishefsky SJ. Creating quaternary centers with high exo stereoselectivity using activated alpha-alkynyl dienophiles. Journal of the American Chemical Society. 129: 10078-9. PMID 17655309 DOI: 10.1021/ja073528d  1
2007 Wodrich MD, Wannere CS, Mo Y, Jarowski PD, Houk KN, Schleyer Pv. The concept of protobranching and its many paradigm shifting implications for energy evaluations. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 7731-44. PMID 17607688 DOI: 10.1002/chem.200700602  0.52
2007 Leca D, Gaggini F, Cassayre J, Loiseleur O, Pieniazek SN, Luft JA, Houk KN. Acid-catalyzed aza-Diels-Alder reactions for the total synthesis of (+/-)-lapatin B. The Journal of Organic Chemistry. 72: 4284-7. PMID 17480097 DOI: 10.1021/jo0705162  1
2007 Moss RA, Tian J, Sauers RR, Ess DH, Houk KN, Krogh-Jespersen K. The synthesis of dichlorodiazirine and the generation of dichlorocarbene: spectroscopy and structure of dichlorocarbene ylides. Journal of the American Chemical Society. 129: 5167-74. PMID 17391033 DOI: 10.1021/ja068727w  1
2007 Celebi-Olçüm N, Ess DH, Aviyente V, Houk KN. Lewis acid catalysis alters the shapes and products of bis-pericyclic Diels-Alder transition states. Journal of the American Chemical Society. 129: 4528-9. PMID 17385868 DOI: 10.1021/ja070686w  1
2007 Jarowski PD, Houk KN, Garcia-Garibay MA. Importance of correlated motions on the low barrier rotational potentials of crystalline molecular gyroscopes. Journal of the American Chemical Society. 129: 3110-7. PMID 17315991 DOI: 10.1021/ja0637907  1
2007 Luft JA, Meleson K, Houk KN. Transition structures of diastereoselective 1,3-dipolar cycloadditions of nitrile oxides to chiral homoallylic alcohols. Organic Letters. 9: 555-8. PMID 17253700 DOI: 10.1021/ol062751x  1
2007 Gordillo R, Dudding T, Anderson CD, Houk KN. Hydrogen bonding catalysis operates by charge stabilization in highly polar Diels-Alder reactions. Organic Letters. 9: 501-3. PMID 17249797 DOI: 10.1021/ol0629925  0.56
2007 Dai M, Sarlah D, Yu M, Danishefsky SJ, Jones GO, Houk KN. Highly selective Diels-Alder reactions of directly connected enyne dienophiles. Journal of the American Chemical Society. 129: 645-57. PMID 17227028 DOI: 10.1021/ja065762u  1
2006 Paulson SE, Liu DL, Orzechowska GE, Campos LM, Houk KN. Photolysis of heptanal. The Journal of Organic Chemistry. 71: 6403-8. PMID 16901122 DOI: 10.1021/jo060596u  1
2006 Padwa A, Crawford KR, Straub CS, Pieniazek SN, Houk KN. Halo substituent effects on intramolecular cycloadditions involving furanyl amides. The Journal of Organic Chemistry. 71: 5432-9. PMID 16839120 DOI: 10.1021/jo0602322  1
2006 Lee M, Lloyd P, Zhang X, Schallhorn JM, Sugimoto K, Leach AG, Sapiro G, Houk KN. Shapes of antibody binding sites: qualitative and quantitative analyses based on a geomorphic classification scheme. The Journal of Organic Chemistry. 71: 5082-92. PMID 16808494 DOI: 10.1021/jo052659z  1
2006 Jarowski PD, Diederich F, Houk KN. Butatrienes as extended alkenes: barriers to internal rotation and substitution effects on the stabilities of the ground states and transition states. The Journal of Physical Chemistry. A. 110: 7237-46. PMID 16737275 DOI: 10.1021/jp0607770  0.52
2006 Brough B, Northrop BH, Schmidt JJ, Tseng HR, Houk KN, Stoddart JF, Ho CM. Evaluation of synthetic linear motor-molecule actuation energetics. Proceedings of the National Academy of Sciences of the United States of America. 103: 8583-8. PMID 16735470 DOI: 10.1073/pnas.0509645103  1
2006 Pryor WA, Houk KN, Foote CS, Fukuto JM, Ignarro LJ, Squadrito GL, Davies KJ. Free radical biology and medicine: it's a gas, man! American Journal of Physiology. Regulatory, Integrative and Comparative Physiology. 291: R491-511. PMID 16627692 DOI: 10.1152/ajpregu.00614.2005  1
2006 Cheong PH, Yun H, Danishefsky SJ, Houk KN. Torsional steering controls the stereoselectivity of epoxidation in the guanacastepene a synthesis. Organic Letters. 8: 1513-6. PMID 16597098 DOI: 10.1021/ol052862g  1
2006 Cheong PH, Zhang H, Thayumanavan R, Tanaka F, Houk KN, Barbas CF. Pipecolic acid-catalyzed direct asymmetric mannich reactions. Organic Letters. 8: 811-4. PMID 16494447 DOI: 10.1021/ol052861o  1
2006 Jones GO, Guner VA, Houk KN. Diels-Alder reactions of cyclopentadiene and 9,10-dimethylanthracene with cyanoalkenes: the performance of density functional theory and Hartree-Fock calculations for the prediction of substituent effects. The Journal of Physical Chemistry. A. 110: 1216-24. PMID 16435782 DOI: 10.1021/jp052055z  1
2006 Pieniazek SN, Houk KN. The origin of the halogen effect on reactivity and reversibility of Diels-Alder cycloadditions involving furan. Angewandte Chemie (International Ed. in English). 45: 1442-5. PMID 16425325 DOI: 10.1002/anie.200502677  0.96
2005 Ess DH, Houk KN. Activation energies of pericyclic reactions: performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions. The Journal of Physical Chemistry. A. 109: 9542-53. PMID 16866406 DOI: 10.1021/jp052504v  1
2005 Zhang X, Houk KN. Acid/base catalysis by pure water: the aldol reaction. The Journal of Organic Chemistry. 70: 9712-6. PMID 16292798 DOI: 10.1021/jo0509455  1
2005 Liu Y, Vignon SA, Zhang X, Bonvallet PA, Khan SI, Houk KN, Stoddart JF. Dynamic chirality in donor-acceptor pretzelanes. The Journal of Organic Chemistry. 70: 9334-44. PMID 16268606 DOI: 10.1021/jo051430g  1
2005 Liu Y, Vignon SA, Zhang X, Houk KN, Stoddart JF. Conformational diastereoisomerism in a chiral pretzelane. Chemical Communications (Cambridge, England). 3927-9. PMID 16075074 DOI: 10.1039/b507679j  1
2005 Campos LM, Warrier MV, Peterfy K, Houk KN, Garcia-Garibay MA. Secondary alpha isotope effects on deuterium tunneling in triplet o-methylanthrones: extraordinary sensitivity to barrier width. Journal of the American Chemical Society. 127: 10178-9. PMID 16028923 DOI: 10.1021/ja052487n  1
2005 Dutton AS, Fukuto JM, Houk KN. Theoretical reduction potentials for nitrogen oxides from CBS-QB3 energetics and (C)PCM solvation calculations. Inorganic Chemistry. 44: 4024-8. PMID 15907131 DOI: 10.1021/ic048734q  1
2005 Zhang X, Houk KN. Why enzymes are proficient catalysts: beyond the Pauling paradigm. Accounts of Chemical Research. 38: 379-85. PMID 15895975 DOI: 10.1021/ar040257s  1
2005 Caramella P, Quadrelli P, Toma L, Romano S, Khuong KS, Northrop B, Houk KN. The three corrugated surfaces of 1,4-divinyltetramethylene diradical intermediates and their connections to 1,2-divinylcyclobutane, 4-vinylcyclohexene, 1,5-cyclooctadiene, and two butadienes. The Journal of Organic Chemistry. 70: 2994-3008. PMID 15822958 DOI: 10.1021/jo0501947  1
2005 Khuong KS, Beaudry CM, Trauner D, Houk KN. Dienophile twisting and substituent effects influence reaction rates of intramolecular Diels-Alder cycloadditions: a DFT study. Journal of the American Chemical Society. 127: 3688-9. PMID 15771490 DOI: 10.1021/ja050135a  1
2005 Jarowski PD, Diederich F, Houk KN. Structures and stabilities of diacetylene-expanded polyhedranes by quantum mechanics and molecular mechanics. The Journal of Organic Chemistry. 70: 1671-8. PMID 15730286 DOI: 10.1021/jo0479819  0.52
2005 Khuong KS, Jones WH, Pryor WA, Houk KN. The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem. Journal of the American Chemical Society. 127: 1265-77. PMID 15669866 DOI: 10.1021/ja0448667  1
2005 Zhang X, Houk KN, Leighton JL. Origins of stereoselectivity in strain-release allylations Angewandte Chemie - International Edition. 44: 938-941. PMID 15624233 DOI: 10.1002/anie.200462130  1
2005 Fukuto JM, Dutton AS, Houk KN. The chemistry and biology of nitroxyl (HNO): a chemically unique species with novel and important biological activity. Chembiochem : a European Journal of Chemical Biology. 6: 612-9. PMID 15619720 DOI: 10.1002/cbic.200400271  1
2004 Jarowski PD, Wodrich MD, Wannere CS, Schleyer PV, Houk KN. How large is the conjugative stabilization of diynes? Journal of the American Chemical Society. 126: 15036-7. PMID 15547994 DOI: 10.1021/ja046432h  0.52
2004 Cheong PH, Houk KN. Origins of selectivities in proline-catalyzed alpha-aminoxylations. Journal of the American Chemical Society. 126: 13912-3. PMID 15506738 DOI: 10.1021/ja0464746  1
2004 Williams AR, Northrop BH, Houk KN, Stoddart JF, Williams DJ. The influence of constitutional isomerism and change on molecular recognition processes. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 5406-21. PMID 15372661 DOI: 10.1002/chem.200400221  1
2004 Cannizzaro CE, Houk KN. Theoretical study of the stereoselective additions of chiral alcohols to ketenes. Journal of the American Chemical Society. 126: 10992-1008. PMID 15339185 DOI: 10.1021/ja035899+  1
2004 Allemann C, Gordillo R, Clemente FR, Cheong PH, Houk KN. Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions. Accounts of Chemical Research. 37: 558-69. PMID 15311955 DOI: 10.1021/ar0300524  1
2004 Yu ZX, Wender PA, Houk KN. On the mechanism of [Rh(CO)2Cl]2-catalyzed intermolecular (5 + 2) reactions between vinylcyclopropanes and alkynes. Journal of the American Chemical Society. 126: 9154-5. PMID 15281784 DOI: 10.1021/ja048739m  1
2004 Vayner G, Houk KN, Jorgensen WL, Brauman JI. Steric retardation of SN2 reactions in the gas phase and solution. Journal of the American Chemical Society. 126: 9054-8. PMID 15264838 DOI: 10.1021/ja049070m  1
2004 Auffrant A, Jaun B, Jarowski PD, Houk KN, Diederich F. Peralkynylated buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds in the range of those of peptide C--N bonds. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 2906-11. PMID 15214071 DOI: 10.1002/chem.200400218  0.52
2004 Dudding T, Houk KN. Computational predictions of stereochemistry in asymmetric thiazolium- and triazolium-catalyzed benzoin condensations. Proceedings of the National Academy of Sciences of the United States of America. 101: 5770-5. PMID 15079058 DOI: 10.1073/pnas.0307256101  0.56
2004 Tantillo DJ, Hoffmann R, Houk KN, Warner PM, Brown EC, Henze DK. Extended barbaralanes: sigmatropic shiftamers or sigma-polyacenes? Journal of the American Chemical Society. 126: 4256-63. PMID 15053615 DOI: 10.1021/ja0392364  1
2004 Vayner G, Houk KN, Sun YK. Origins of enantioselectivity in reductions of ketones on cinchona alkaloid modified platinum. Journal of the American Chemical Society. 126: 199-203. PMID 14709085 DOI: 10.1021/ja035147f  0.68
2003 Limanto J, Khuong KS, Houk KN, Snapper ML. Intramolecular cycloadditions of cyclobutadiene with dienes: experimental and computational studies of the competing (2 + 2) and (4 + 2) modes of reaction. Journal of the American Chemical Society. 125: 16310-21. PMID 14692772 DOI: 10.1021/ja0380547  1
2003 Yu ZX, Caramella P, Houk KN. Dimerizations of nitrile oxides to furoxans are stepwise via dinitrosoalkene diradicals: a density functional theory study. Journal of the American Chemical Society. 125: 15420-5. PMID 14664587 DOI: 10.1021/ja037325a  0.96
2003 Hamilton DS, Zhang X, Ding Z, Hubatsch I, Mannervik B, Houk KN, Ganem B, Creighton DJ. Mechanism of the glutathione transferase-catalyzed conversion of antitumor 2-crotonyloxymethyl-2-cycloalkenones to GSH adducts. Journal of the American Chemical Society. 125: 15049-58. PMID 14653739 DOI: 10.1021/ja030396p  1
2003 Khuong KS, Houk KN. One-bond, two-bond, and three-bond mechanisms in thermal deazetizations of 2,3-diazabicyclo[2.2.2]oct-2-enes, trans-azomethane, and 2,3-diazabicyclo[2.2.1]hept-2-ene. Journal of the American Chemical Society. 125: 14867-83. PMID 14640664 DOI: 10.1021/ja038198l  1
2003 Yu ZX, Houk KN. Intramolecular 1,3-dipolar ene reactions of nitrile oxides occur by stepwise 1,1-cycloaddition/retro-ene mechanisms. Journal of the American Chemical Society. 125: 13825-30. PMID 14599222 DOI: 10.1021/ja0376487  0.96
2003 Houk KN, Leach AG, Kim SP, Zhang X. Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes. Angewandte Chemie (International Ed. in English). 42: 4872-97. PMID 14579432 DOI: 10.1002/anie.200200565  1
2003 Zhang X, Houk KN, Lin S, Danishefsky SJ. Mechanism of cis-enamide formation from N-(alpha-silyl)allyl amides: synthetic potential of stepwise dyotropic rearrangements. Journal of the American Chemical Society. 125: 5111-4. PMID 12708862 DOI: 10.1021/ja029576+  1
2003 Lee PS, Zhang X, Houk KN. Origins of inward torquoselectivity by silyl groups and other sigma-acceptors in electrocyclic reactions of cyclobutenes. Journal of the American Chemical Society. 125: 5072-9. PMID 12708857 DOI: 10.1021/ja0287635  1
2003 Bahmanyar S, Houk KN. Origins of opposite absolute stereoselectivities in proline-catalyzed direct Mannich and aldol reactions. Organic Letters. 5: 1249-51. PMID 12688731 DOI: 10.1021/ol034198e  1
2003 Cannizzaro CE, Ashley JA, Janda KD, Houk KN. Experimental determination of the absolute enantioselectivity of an antibody-catalyzed Diels-Alder reaction and theoretical explorations of the origins of stereoselectivity. Journal of the American Chemical Society. 125: 2489-506. PMID 12603137 DOI: 10.1021/ja020879d  1
2003 Bahmanyar S, Houk KN, Martin HJ, List B. Quantum mechanical predictions of the stereoselectivities of proline-catalyzed asymmetric intermolecular aldol reactions. Journal of the American Chemical Society. 125: 2475-9. PMID 12603135 DOI: 10.1021/ja028812d  1
2003 Yu ZX, Houk KN. Why trimerization? Computational elucidation of the origin of selective trimerization of ethene catalyzed by [TaCl3(CH3)2] and an agostic-assisted hydride transfer mechanism. Angewandte Chemie (International Ed. in English). 42: 808-11. PMID 12596207 DOI: 10.1002/anie.200390215  0.96
2003 Khaledy MM, Kalani MY, Khuong KS, Houk KN, Aviyente V, Neier R, Soldermann N, Velker J. Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study. The Journal of Organic Chemistry. 68: 572-7. PMID 12530884 DOI: 10.1021/jo020595b  1
2003 Hoang L, Bahmanyar S, Houk KN, List B. Kinetic and stereochemical evidence for the involvement of only one proline molecule in the transition states of proline-catalyzed intra- and intermolecular aldol reactions. Journal of the American Chemical Society. 125: 16-7. PMID 12515489 DOI: 10.1021/ja028634o  1
2003 Ujaque G, Tantillo DJ, Hu Y, Houk KN, Hotta K, Hilvert D. Catalysis on the coastline: theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. Journal of Computational Chemistry. 24: 98-110. PMID 12483679 DOI: 10.1002/jcc.10151  1
2002 Zhang X, Deng Q, Yoo SH, Houk KN. Origins and predictions of stereoselective antibody catalysis: theoretical analysis of Diels-Alder catalysis by 39A11 and its germ-line antibody. The Journal of Organic Chemistry. 67: 9043-53. PMID 12467427  1
2002 Limanto J, Tallarico JA, Porter JR, Khuong KS, Houk KN, Snapper ML. Intramolecular cycloadditions of cyclobutadiene with olefins. Journal of the American Chemical Society. 124: 14748-58. PMID 12465988 DOI: 10.1021/ja0203162  1
2002 Bartberger MD, Liu W, Ford E, Miranda KM, Switzer C, Fukuto JM, Farmer PJ, Wink DA, Houk KN. The reduction potential of nitric oxide (NO) and its importance to NO biochemistry. Proceedings of the National Academy of Sciences of the United States of America. 99: 10958-63. PMID 12177417 DOI: 10.1073/pnas.162095599  1
2002 Cannizzaro CE, Houk KN. Magnitudes and chemical consequences of R(3)N(+)-C-H...O[double bond]C hydrogen bonding. Journal of the American Chemical Society. 124: 7163-9. PMID 12059242 DOI: 10.1021/ja012417q  1
2002 Tantillo DJ, Houk KN. Transition state docking: a probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis. Journal of Computational Chemistry. 23: 84-95. PMID 11913392 DOI: 10.1002/jcc.10019  1
2001 Houk KN, Lee JK, Tantillo DJ, Bahmanyar S, Hietbrink BN. Crystal structures of orotidine monophosphate decarboxylase: does the structure reveal the mechanism of nature's most proficient enzyme? Chembiochem : a European Journal of Chemical Biology. 2: 113-8. PMID 11828434 DOI: 10.1002/1439-7633(20010202)2:2<113::AID-CBIC113>3.0.CO;2-T  1
2001 Bahmanyar S, Houk KN. The origin of stereoselectivity in proline-catalyzed intramolecular aldol reactions. Journal of the American Chemical Society. 123: 12911-2. PMID 11749554 DOI: 10.1021/ja011714s  1
2001 Bahmanyar S, Houk KN. Transition states of amine-catalyzed aldol reactions involving enamine intermediates: theoretical studies of mechanism, reactivity, and stereoselectivity. Journal of the American Chemical Society. 123: 11273-83. PMID 11697970 DOI: 10.1021/ja011403h  1
2001 Cannizzaro CE, Strassner T, Houk KN. The origin of 1,4-asymmetric induction in the additions of chiral alcohols to ketenes. Journal of the American Chemical Society. 123: 2668-9. PMID 11456939 DOI: 10.1021/ja002576u  1
2001 Tantillo DJ, Houk KN. Canonical binding arrays as molecular recognition elements in the immune system: tetrahedral anions and the ester hydrolysis transition state. Chemistry & Biology. 8: 535-45. PMID 11410373  1
2001 Tantillo DJ, Houk KN, Jung ME. Origins of stereoselectivity in intramolecular Diels-Alder cycloadditions of dienes and dienophiles linked by ester and amide tethers. The Journal of Organic Chemistry. 66: 1938-40. PMID 11300884  1
2000 Hotta K, Lange H, Tantillo DJ, Houk KN, Hilvert D, Wilson IA. Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. Journal of Molecular Biology. 302: 1213-25. PMID 11183784 DOI: 10.1006/jmbi.2000.4503  1
1999 Tantillo DJ, Houk KN. Fidelity in Hapten Design: How Analogous Are Phosphonate Haptens to the Transition States for Alkaline Hydrolyses of Aryl Esters? The Journal of Organic Chemistry. 64: 3066-3076. PMID 11674403  1
1998 Tantillo DJ, Chen J, Houk KN. Theozymes and compuzymes: theoretical models for biological catalysis. Current Opinion in Chemical Biology. 2: 743-50. PMID 9914196  1
1997 Winkler JD, Kim HS, Kim S, Ando K, Houk KN. Stereoselective Synthesis of the Taxane Ring System via the Tandem Diels-Alder Cycloaddition. The Journal of Organic Chemistry. 62: 2957-2962. PMID 11671659 DOI: 10.1021/jo961620e  1
1996 Houk KN, Nakamura K, Sheu C, Keating AE. Gating as a control element in constrictive binding and guest release by hemicarcerands. Science (New York, N.Y.). 273: 627-9. PMID 8662548  1
1986 Houk KN, Paddon-Row MN, Rondan NG, Wu YD, Brown FK, Spellmeyer DC, Metz JT, Li Y, Loncharich RJ. Theory and modeling of stereoselective organic reactions. Science (New York, N.Y.). 231: 1108-17. PMID 3945819  1
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