| Year |
Citation |
Score |
| 2022 |
Lu M, Xu J, Baldridge KK, Siegel JS. Propeller, Linear, Cruciform & Stellate Spirobicarbazolium Salts. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36301715 DOI: 10.1002/chem.202203035 |
0.446 |
|
| 2022 |
Wang Y, Rickhaus M, Blacque O, Baldridge KK, Juríček M, Siegel JS. Cooperative Weak Dispersive Interactions Actuate Catalysis in a Shape-Selective Abiological Racemase. Journal of the American Chemical Society. 144: 2679-2684. PMID 35120406 DOI: 10.1021/jacs.1c11032 |
0.424 |
|
| 2021 |
Dürr-Mayer T, Qiu D, Eisenbeis VB, Steck N, Häner M, Hofer A, Mayer A, Siegel JS, Baldridge KK, Jessen HJ. The chemistry of branched condensed phosphates. Nature Communications. 12: 5368. PMID 34508082 DOI: 10.1038/s41467-021-25668-3 |
0.464 |
|
| 2021 |
Siegel JS, Guo T, Li A, Xu J, Baldridge KK. Enantiopure C5 Pentaindenocorannulenes: Chiral Graphenoid Materials. Angewandte Chemie (International Ed. in English). PMID 34486802 DOI: 10.1002/anie.202109946 |
0.452 |
|
| 2021 |
Bookser BC, Do QQ, Sritana-Anant Y, Baldridge KK, Siegel JS. Synthesis and Acidity of 5-(-Terphenyl-2'-yl)-1-tetrazoles: Evidence for an Enhanced Polar-π Effect Compared to Carboxylic Acids. Journal of Medicinal Chemistry. PMID 33685125 DOI: 10.1021/acs.jmedchem.0c02147 |
0.439 |
|
| 2020 |
Sattasathuchana T, Siegel JS, Baldridge KK. Generalized Analytic Approach for Determination of Multidimensional Franck-Condon Factors: Simulated Photoelectron Spectra of Polynuclear Aromatic Hydrocarbons. Journal of Chemical Theory and Computation. PMID 32589421 DOI: 10.1021/Acs.Jctc.0C00274 |
0.525 |
|
| 2020 |
O'Connor JM, Qin P, Wang LA, Baldridge KK, Li Y, Tufekci B, Chen J, Rheingold AL. Transition-Metal Catalysis of Triene 6π Electrocyclization: The π-Complexation Strategy Realized. Angewandte Chemie (International Ed. in English). PMID 32510720 DOI: 10.1002/Anie.202006992 |
0.312 |
|
| 2020 |
Ronson TK, Wang Y, Baldridge K, Siegel JS, Nitschke JR. An -Symmetric 5-Fold Interlocked [2]Catenane. Journal of the American Chemical Society. PMID 32453562 DOI: 10.1021/Jacs.0C03349 |
0.549 |
|
| 2020 |
Sun Z, Xi L, Zheng K, Zhang Z, Baldridge KK, Olson MA. Classical and non-classical melatonin receptor agonist-directed micellization of bipyridinium-based supramolecular amphiphiles in water. Soft Matter. PMID 32400822 DOI: 10.1039/D0Sm00424C |
0.307 |
|
| 2020 |
Liu HB, Imler GH, Baldridge KK, O'Connor RD, Siegel JS, Deschamps JR, Bewley CA. X-ray crystallography and unexpected chiroptical properties reassign the configuration of haliclonadiamine. Journal of the American Chemical Society. PMID 31986017 DOI: 10.1021/Jacs.9B12926 |
0.54 |
|
| 2020 |
Tian X, Xu J, Baldridge KK, Siegel JS. Inside Cover: Fluorous Corannulenes: Ab initio Predictions and the Synthesis of sym‐Pentafluorocorannulene (Angew. Chem. Int. Ed. 4/2020) Angewandte Chemie International Edition. 59: 1358-1358. DOI: 10.1002/Anie.201915590 |
0.505 |
|
| 2019 |
Li G, Ma R, Xing Y, Wei J, Bi Y, Li C, Xiong H, Baldridge KK, Huang J, Siegel JS, Zhang Y. Involvement of aryl hydrocarbon receptor in the cytotoxicity of corannulene and its derivatives. Toxicology Letters. PMID 31830554 DOI: 10.1016/J.Toxlet.2019.12.012 |
0.496 |
|
| 2019 |
Siegel JS, Tian X, Xu J, Baldridge KK. Fluorous Corannulenes: Ab initio Predictions and the Synthesis of sym-Pentafluorocorannulene. Angewandte Chemie (International Ed. in English). PMID 31725929 DOI: 10.1002/Anie.201913878 |
0.564 |
|
| 2019 |
Singh J, Ripp A, Haas TM, Qiu D, Keller M, Wender PA, Siegel JS, Baldridge KK, Jessen HJ. Correction to "Synthesis of Modified Nucleoside Oligophosphates Simplified: Fast, Pure, and Protecting Group Free". Journal of the American Chemical Society. PMID 31580654 DOI: 10.1021/Jacs.9B10441 |
0.486 |
|
| 2019 |
Singh J, Ripp A, Haas TM, Qiu D, Keller M, Wender PA, Siegel JS, Baldridge KK, Jessen HJ. Synthesis of modified nucleoside oligophosphates simplified: Fast, pure, and protecting group free. Journal of the American Chemical Society. PMID 31512870 DOI: 10.1021/Jacs.9B08273 |
0.526 |
|
| 2019 |
Melngaile R, Sperga A, Baldridge KK, Veliks J. Diastereoselective Monofluorocyclopropanation Using Fluoromethylsulfonium Salts. Organic Letters. PMID 31433191 DOI: 10.1021/Acs.Orglett.9B02867 |
0.306 |
|
| 2019 |
Mairena A, Zoppi L, Lampart S, Baldridge KK, Siegel JS, Ernst KH. Five-Fold Symmetry and 2D Crystallization: Self-Assembly of the Buckybowl Pentaindenocorannulene on a Cu(100) Surface. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31291023 DOI: 10.1002/Chem.201902504 |
0.528 |
|
| 2019 |
Tian X, Roch LM, Vanthuyne N, Xu J, Baldridge KK, Siegel JS. Azaindenocorannulenes: Synthesis, Properties, and Chirality. Organic Letters. PMID 30995051 DOI: 10.1021/Acs.Orglett.9B00718 |
0.54 |
|
| 2019 |
Meng D, Liu G, Xiao C, Shi Y, Zhang L, Jiang L, Baldridge KK, Li Y, Siegel JS, Wang Z. Corannurylene Pentapetalae. Journal of the American Chemical Society. PMID 30848590 DOI: 10.1021/jacs.9b00053 |
0.487 |
|
| 2019 |
Lu M, Allemann O, Xu J, Linden A, Baldridge KK, Siegel JS. Peraryl-X-onium ions of nitrogen and oxygen Organic Chemistry Frontiers. 6: 2640-2646. DOI: 10.1039/C9Qo00633H |
0.504 |
|
| 2019 |
O'Connor JM, Baldridge KK, Cope S, Holland RL. Triple carbon – fluorine bond activation for modification of metal ligands: Synthesis of the first η5-C5Me4(CHPh2) transition metal complex Polyhedron. 157: 406-409. DOI: 10.1016/J.Poly.2018.10.026 |
0.31 |
|
| 2019 |
Tian X, Xu J, Baldridge KK, Siegel JS. Innentitelbild: Fluorous Corannulenes: Ab initio Predictions and the Synthesis of sym‐Pentafluorocorannulene (Angew. Chem. 4/2020) Angewandte Chemie. 132: 1374-1374. DOI: 10.1002/Ange.201915590 |
0.504 |
|
| 2018 |
Wang Y, Allemann O, Balaban TS, Vanthuyne N, Linden A, Baldridge KK, Siegel JS. Chiral Atropisomeric Indenocorannulene Bowls: Critique of Cahn-Ingold-Prelog Conception of Molecular Chirality. Angewandte Chemie (International Ed. in English). PMID 29656583 DOI: 10.1002/Anie.201801325 |
0.513 |
|
| 2018 |
Liu S, Roch LM, Allemann O, Xu J, Vanthuyne N, Baldridge KK, Siegel JS. 1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls. The Journal of Organic Chemistry. PMID 29577722 DOI: 10.1021/Acs.Joc.8B00320 |
0.522 |
|
| 2018 |
Zoppi L, Baldridge KK. From charge‐transfer excitations to charge‐transport phenomena in organic molecular crystals International Journal of Quantum Chemistry. 118. DOI: 10.1002/Qua.25413 |
0.353 |
|
| 2018 |
Roch LM, Aleksiev T, Murri R, Baldridge KK. Performance analysis of open‐source distributed file systems for practical large‐scale molecular ab initio, density functional theory, and GW + BSE calculations International Journal of Quantum Chemistry. 118. DOI: 10.1002/Qua.25392 |
0.322 |
|
| 2017 |
Zoppi L, Stöckl QS, Mairena A, Allemann O, Siegel JS, Baldridge KK, Ernst KH. Pauli Repulsion Versus Van Der Waals: Interaction of Indenocorannulene With a Cu(111) Surface. The Journal of Physical Chemistry. B. PMID 28906118 DOI: 10.1021/Acs.Jpcb.7B06967 |
0.505 |
|
| 2017 |
Roch LM, Baldridge KK. Dispersion-Corrected Spin-Component-Scaled Double-Hybrid Density Functional Theory: Implementation and Performance for Non-covalent Interactions. Journal of Chemical Theory and Computation. 13: 2650-2666. PMID 28537392 DOI: 10.1021/Acs.Jctc.7B00220 |
0.327 |
|
| 2017 |
Windus TL, Baldridge KK, Schmidt MW, Aikens CM. Preface: Mark S. Gordon. The Journal of Physical Chemistry. A. 121: 2715-2718. PMID 28403616 DOI: 10.1021/Acs.Jpca.7B00181 |
0.509 |
|
| 2017 |
Wang Z, Nour HF, Roch LM, Guo M, Li W, Baldridge KK, Sue AC, Olson MA. [3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles. The Journal of Organic Chemistry. PMID 28121150 DOI: 10.1021/Acs.Joc.6B02868 |
0.383 |
|
| 2017 |
Pastukhova N, Samos LM, Zoppi L, Pavlica E, Mathew J, Bratina G, Siegel JS, Baldridge KK. Evidence of enhanced photocurrent response in corannulene films Rsc Adv.. 7: 45601-45606. DOI: 10.1039/C7Ra08508G |
0.474 |
|
| 2017 |
Hitt DM, Holland RL, Baldridge KK, Cope SK, O’Connor JM. Stereoselective Formation of η6-Arene Ruthenium(II) Complexes via Metal-Triggered Bergman and Hopf Cycloaromatizations Organometallics. 36: 4256-4267. DOI: 10.1021/Acs.Organomet.7B00679 |
0.318 |
|
| 2017 |
Roch LM, Zoppi L, Siegel JS, Baldridge KK. Indenocorannulene-Based Materials: Effect of Solid-State Packing and Intermolecular Interactions on Optoelectronic Properties The Journal of Physical Chemistry C. 121: 1220-1234. DOI: 10.1021/Acs.Jpcc.6B10895 |
0.54 |
|
| 2017 |
Deng Y, Xu B, Castro E, Fernandez-Delgado O, Echegoyen L, Baldridge KK, Siegel JS. Decakis(arylthio)corannulenes: Transferable Photochemical and Redox Parameters and Photovoltaic Device Performance European Journal of Organic Chemistry. 2017: 4338-4342. DOI: 10.1002/Ejoc.201700861 |
0.441 |
|
| 2017 |
Tian X, Roch LM, Baldridge KK, Siegel JS. Diindenocorannulenes: Curved Aromatics Blending Bowl-in-Bowl Assembly and Nanocarbon Material Properties European Journal of Organic Chemistry. 2017: 2801-2805. DOI: 10.1002/Ejoc.201700606 |
0.517 |
|
| 2017 |
Xia Y, Guo T, Baldridge KK, Siegel JS. Trifluoromethyl/Perfluoroalkyl Corannulenes: Directed Synthesis and Photophysical Characterization European Journal of Organic Chemistry. 2017: 875-879. DOI: 10.1002/Ejoc.201601449 |
0.498 |
|
| 2016 |
Shen Y, Pan Y, Liu J, Sattasathuchana T, Baldridge KK, Duttwyler S. Synthesis and full characterization of an iridium B-H activation intermediate of the monocarba-closo-dodecaborate anion. Chemical Communications (Cambridge, England). PMID 27910993 DOI: 10.1039/C6Cc08121E |
0.322 |
|
| 2016 |
Lampart S, Roch LM, Dutta AK, Wang Y, Warshamanage R, Finke AD, Linden A, Baldridge KK, Siegel JS. Pentaindenocorannulene: Properties, Assemblies and C60 Complex. Angewandte Chemie (International Ed. in English). PMID 27709796 DOI: 10.1002/Anie.201608337 |
0.518 |
|
| 2016 |
Steinauer A, Butterfield AM, Linden A, Molina-Ontario A, Buck DC, Cotta RW, Echegoyen L, Baldridge KK, Siegel JS. Tunable Photochemical/Redox Properties of (Phenylthio)ncorannulenes: Application to a Photovoltaic Device Journal of the Brazilian Chemical Society. 27: 1866-1871. DOI: 10.5935/0103-5053.20160072 |
0.499 |
|
| 2015 |
Zoppi L, Ferretti A, Baldridge KK. Tuning electron transport through functionalized C20H10 molecular junctions. Journal of Chemical Theory and Computation. 11: 4900-10. PMID 26574278 DOI: 10.1021/Acs.Jctc.5B00592 |
0.304 |
|
| 2015 |
Dutta AK, Linden A, Zoppi L, Baldridge KK, Siegel JS. Extended Corannulenes: Aromatic Bowl/Sheet Hybridization. Angewandte Chemie (International Ed. in English). 54: 10792-6. PMID 26216746 DOI: 10.1002/Anie.201503553 |
0.501 |
|
| 2015 |
Berstis L, Baldridge KK. DFT-based Green's function pathways model for prediction of bridge-mediated electronic coupling. Physical Chemistry Chemical Physics : Pccp. 17: 30842-53. PMID 25891125 DOI: 10.1039/C5Cp01861G |
0.336 |
|
| 2015 |
Rodenberg A, Orazietti M, Probst B, Bachmann C, Alberto R, Baldridge KK, Hamm P. Mechanism of photocatalytic hydrogen generation by a polypyridyl-based cobalt catalyst in aqueous solution. Inorganic Chemistry. 54: 646-57. PMID 25539163 DOI: 10.1021/Ic502591A |
0.321 |
|
| 2015 |
Lu RQ, Zhou YN, Yan XY, Shi K, Zheng YQ, Luo M, Wang XC, Pei J, Xia H, Zoppi L, Baldridge KK, Siegel JS, Cao XY. Thiophene-fused bowl-shaped polycyclic aromatics with a dibenzo[a,g]corannulene core for organic field-effect transistors. Chemical Communications (Cambridge, England). 51: 1681-4. PMID 25512949 DOI: 10.1039/C4Cc08451A |
0.495 |
|
| 2015 |
Holland RL, O'Connor JM, Bunker KD, Qin P, Cope SK, Baldridge KK, Siegel JS. Stereospecific Oxidative Demetallation of Highly Functionalized CpCo(1,3-Diene) Complexes: An Experimental and Computational Study Synlett. 26: 2243-2246. DOI: 10.1055/S-0035-1560092 |
0.5 |
|
| 2015 |
Da Ros S, Linden A, Baldridge KK, Siegel JS. Errautm: Boronic esters of corannulene: Potential building blocks toward icosahedral supramolecules(Organic Chemistry Frontiers (2015), 10.1039/c5qo00009b) Organic Chemistry Frontiers. 2: 753. DOI: 10.1039/C5Qo90018B |
0.466 |
|
| 2015 |
Allemann O, Baldridge KK, Siegel JS. Intramolecular C-H insertion vs. Friedel-Crafts coupling induced by silyl cation-promoted C-F activation Organic Chemistry Frontiers. 2: 1018-1021. DOI: 10.1039/C5Qo00170F |
0.525 |
|
| 2015 |
Da Ros S, Linden A, Baldridge KK, Siegel JS. Boronic esters of corannulene: Potential building blocks toward icosahedral supramolecules Organic Chemistry Frontiers. 2: 626-633. DOI: 10.1039/C5Qo00009B |
0.522 |
|
| 2015 |
Baldridge KK, Siegel JS, O'Connor JM. Structure and dynamics in unsymmetrically substituted five-coordinate iridacyclopentadiene complexes Journal of Physical Organic Chemistry. 28: 199-202. DOI: 10.1002/Poc.3356 |
0.536 |
|
| 2015 |
Baldridge KK, Siegel JS. Molecular compression chambers: Exceeding the euler modulus Journal of Physical Organic Chemistry. 28: 223-225. DOI: 10.1002/Poc.3323 |
0.516 |
|
| 2014 |
Zoppi L, Martin-Samos L, Baldridge KK. Structure-property relationships of curved aromatic materials from first principles. Accounts of Chemical Research. 47: 3310-20. PMID 24933397 DOI: 10.1021/Ar5001132 |
0.366 |
|
| 2014 |
Rahanyan N, Duttwyler S, Linden A, Baldridge KK, Siegel JS. Cu(I) and Ag(I) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids? Dalton Transactions (Cambridge, England : 2003). 43: 11027-38. PMID 24915516 DOI: 10.1039/C4Dt01460J |
0.527 |
|
| 2014 |
Jurí?ek M, Strutt NL, Barnes JC, Butterfield AM, Dale EJ, Baldridge KK, Stoddart JF, Siegel JS. Induced-fit catalysis of corannulene bowl-to-bowl inversion. Nature Chemistry. 6: 222-8. PMID 24557137 DOI: 10.1038/Nchem.1842 |
0.48 |
|
| 2014 |
Mattarella M, Berstis L, Baldridge KK, Siegel JS. Synthesis of Bioconjugated sym-pentasubstituted corannulenes: experimental and theoretical investigations of supramolecular architectures. Bioconjugate Chemistry. 25: 115-28. PMID 24313559 DOI: 10.1021/Bc400408D |
0.556 |
|
| 2014 |
Berstis L, Siegel JS, Baldridge KK. Close covalent contacts: gauging molecular compression in a molecular compression chamber. Physical Chemistry Chemical Physics : Pccp. 16: 1379-84. PMID 24296467 DOI: 10.1039/C3Cp54402H |
0.53 |
|
| 2014 |
Lu RQ, Zheng YQ, Zhou YN, Yan XY, Lei T, Shi K, Zhou Y, Pei J, Zoppi L, Baldridge KK, Siegel JS, Cao XY. Corannulene derivatives as non-fullerene acceptors in solution-processed bulk heterojunction solar cells Journal of Materials Chemistry A. 2: 20515-20519. DOI: 10.1039/C4Ta05310A |
0.466 |
|
| 2014 |
Romanato P, Duttwyler S, Linden A, Baldridge KK, Siegel JS. Through-space interactions in enshrouded m-terphenylsilanes Journal of Physical Organic Chemistry. 27: 277-283. DOI: 10.1002/Poc.3265 |
0.502 |
|
| 2013 |
Abramson RA, Baldridge KK. Defined-Sector Explicit Solvent in Continuum Cluster Model for Computational Prediction of pKa: Consideration of Secondary Functionality and Higher Degree of Solvation. Journal of Chemical Theory and Computation. 9: 1027-35. PMID 26588745 DOI: 10.1021/Ct300934Q |
0.301 |
|
| 2013 |
Bauert T, Zoppi L, Koller G, Siegel JS, Baldridge KK, Ernst KH. Quadruple anionic buckybowls by solid-state chemistry of corannulene and cesium. Journal of the American Chemical Society. 135: 12857-60. PMID 23889467 DOI: 10.1021/Ja4063103 |
0.475 |
|
| 2013 |
O'Connor JM, Baldridge KK, Vélez CL, Rheingold AL, Moore CE. Chemistry at the alkyne-carbene intersection: a metallacyclobutene-η3-vinylcarbene equilibration. Journal of the American Chemical Society. 135: 8826-9. PMID 23721328 DOI: 10.1021/Ja4039483 |
0.316 |
|
| 2013 |
Baldridge KK, Siegel JS. Of graphs and graphenes: molecular design and chemical studies of aromatic compounds. Angewandte Chemie (International Ed. in English). 52: 5436-8. PMID 23592302 DOI: 10.1002/Anie.201300625 |
0.472 |
|
| 2013 |
Niamnont N, Kimpitak N, Wongravee K, Rashatasakhon P, Baldridge KK, Siegel JS, Sukwattanasinitt M. Tunable star-shaped triphenylamine fluorophores for fluorescence quenching detection and identification of nitro-aromatic explosives. Chemical Communications (Cambridge, England). 49: 780-2. PMID 23236601 DOI: 10.1039/C2Cc34008A |
0.448 |
|
| 2013 |
Zoppi L, Siegel JS, Baldridge KK. Electron transport and optical properties of curved aromatics Wiley Interdisciplinary Reviews: Computational Molecular Science. 3: 1-12. DOI: 10.1002/Wcms.1107 |
0.526 |
|
| 2013 |
Baldridge KK, Siegel JS. Von Graphen und Graphenen: molekulares Design und chemische Studien aromatischer Verbindungen Angewandte Chemie. 125: 5546-5548. DOI: 10.1002/Ange.201300625 |
0.433 |
|
| 2012 |
Wu YL, Stuparu MC, Boudon C, Gisselbrecht JP, Schweizer WB, Baldridge KK, Siegel JS, Diederich F. Structural, optical, and electrochemical properties of three-dimensional push-pull corannulenes. The Journal of Organic Chemistry. 77: 11014-26. PMID 23171240 DOI: 10.1021/Jo302217N |
0.555 |
|
| 2012 |
Zoppi L, Bauert T, Siegel JS, Baldridge KK, Ernst KH. Pentagonal tiling with buckybowls: pentamethylcorannulene on Cu(111). Physical Chemistry Chemical Physics : Pccp. 14: 13365-9. PMID 22935627 DOI: 10.1039/C2Cp41732D |
0.497 |
|
| 2012 |
Baldridge KK, Cozzi F, Siegel JS. Basicity of (2,6-pyridino)paracyclophanes: lone pair-π, cation-π, and solvation effects. Angewandte Chemie (International Ed. in English). 51: 2903-6. PMID 22337609 DOI: 10.1002/Anie.201108545 |
0.502 |
|
| 2012 |
Frantz DK, Linden A, Baldridge KK, Siegel JS. Molecular spur gears comprising triptycene rotators and bibenzimidazole-based stators. Journal of the American Chemical Society. 134: 1528-35. PMID 22217296 DOI: 10.1021/Ja2063346 |
0.526 |
|
| 2012 |
Abramson R, Baldridge KK. Defined-sector explicit solvent in the continuum model approach for computational prediction of pK a Molecular Physics. 110: 2401-2412. DOI: 10.1080/00268976.2012.687465 |
0.312 |
|
| 2011 |
Zoppi L, Martin-Samos L, Baldridge KK. Effect of molecular packing on corannulene-based materials electroluminescence. Journal of the American Chemical Society. 133: 14002-9. PMID 21793582 DOI: 10.1021/Ja2040688 |
0.314 |
|
| 2011 |
Romanato P, Duttwyler S, Linden A, Baldridge KK, Siegel JS. Competition between π-arene and lone-pair halogen coordination of silylium ions? Journal of the American Chemical Society. 133: 11844-6. PMID 21766853 DOI: 10.1021/Ja2040392 |
0.523 |
|
| 2011 |
Bauert T, Baldridge KK, Siegel JS, Ernst KH. Surface-assisted bowl-in-bowl stacking of nonplanar aromatic hydrocarbons. Chemical Communications (Cambridge, England). 47: 7995-7. PMID 21691618 DOI: 10.1039/C1Cc12540K |
0.509 |
|
| 2011 |
Allemann O, Duttwyler S, Romanato P, Baldridge KK, Siegel JS. Proton-catalyzed, silane-fueled Friedel-Crafts coupling of fluoroarenes. Science (New York, N.Y.). 332: 574-7. PMID 21527709 DOI: 10.1126/Science.1202432 |
0.533 |
|
| 2011 |
Bandera D, Baldridge KK, Linden A, Dorta R, Siegel JS. Stereoselective coordination of C5-symmetric corannulene derivatives with an enantiomerically pure [Rh(I)(nbd*)] metal complex. Angewandte Chemie (International Ed. in English). 50: 865-7. PMID 21246679 DOI: 10.1002/Anie.201006877 |
0.499 |
|
| 2011 |
Bauert T, Zoppi L, Koller G, Garcia A, Baldridge KK, Ernst KH. Large induced interface dipole moments without charge transfer: Buckybowls on metal surfaces Journal of Physical Chemistry Letters. 2: 2805-2809. DOI: 10.1021/Jz2012484 |
0.303 |
|
| 2011 |
Bandera D, Baldridge KK, Linden A, Dorta R, Siegel JS. Back Cover: Stereoselective Coordination of C5-Symmetric Corannulene Derivatives with an Enantiomerically Pure [RhI(nbd*)] Metal Complex (Angew. Chem. Int. Ed. 4/2011) Angewandte Chemie International Edition. 50: 966-966. DOI: 10.1002/Anie.201100017 |
0.502 |
|
| 2011 |
Bandera D, Baldridge KK, Linden A, Dorta R, Siegel JS. Rücktitelbild: Stereoselective Coordination of C5-Symmetric Corannulene Derivatives with an Enantiomerically Pure [RhI(nbd*)] Metal Complex (Angew. Chem. 4/2011) Angewandte Chemie. 123: 998-998. DOI: 10.1002/Ange.201100017 |
0.5 |
|
| 2010 |
Peverati R, Macrina M, Baldridge KK. Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers-Implementation and Analysis of Functionals and Extrapolation Procedures. Journal of Chemical Theory and Computation. 6: 1951-65. PMID 26615924 DOI: 10.1021/Ct100061F |
0.676 |
|
| 2010 |
Peverati R, Baldridge KK. Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons. Journal of Chemical Theory and Computation. 6: 1924. PMID 26615851 DOI: 10.1021/ct1002187 |
0.638 |
|
| 2010 |
Duttwyler S, Douvris C, Fackler NL, Tham FS, Reed CA, Baldridge KK, Siegel JS. C-F activation of fluorobenzene by silylium carboranes: evidence for incipient phenyl cation reactivity. Angewandte Chemie (International Ed. in English). 49: 7519-22. PMID 20818636 DOI: 10.1002/Anie.201003762 |
0.5 |
|
| 2010 |
O'Connor JM, Baldridge KK, Rodgers BL, Aubrey M, Holland RL, Kassel WS, Rheingold AL. A photochemical metallocene route to anionic enediynes: synthesis, solid-state structures, and ab initio computations on cyclopentadienidoenediynes. Journal of the American Chemical Society. 132: 11030-2. PMID 20698666 DOI: 10.1021/Ja105149K |
0.367 |
|
| 2010 |
Romanato P, Duttwyler S, Linden A, Baldridge KK, Siegel JS. Intramolecular halogen stabilization of silylium ions directs gearing dynamics. Journal of the American Chemical Society. 132: 7828-9. PMID 20499871 DOI: 10.1021/Ja9109665 |
0.518 |
|
| 2010 |
Baldridge KK, Hardcastle KI, Seiders TJ, Siegel JS. Synthesis, structure and properties of decakis(phenylthio)corannulene. Organic & Biomolecular Chemistry. 8: 53-5. PMID 20024131 DOI: 10.1039/B919616A |
0.508 |
|
| 2010 |
Dahl R, Baldridge KK, Finney NS. Efficient access to aminomannoside derivatives via formal [2+2] cycloaddition of triazolinediones and tri- O -acetyl- D -glucal Synthesis. 2292-2296. DOI: 10.1055/S-0029-1218803 |
0.309 |
|
| 2010 |
Karim AR, Linden A, Baldridge KK, Siegel JS. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science. 1: 102-110. DOI: 10.1039/C0Sc00117A |
0.53 |
|
| 2009 |
Peverati R, Baldridge KK. Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in Solution. Journal of Chemical Theory and Computation. 5: 2772-86. PMID 26631790 DOI: 10.1021/Ct900363N |
0.692 |
|
| 2009 |
Klosterman JK, Baldridge KK, Siegel JS. Photophysics of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines. Dual emission dependent on structure and solvent. Physical Chemistry Chemical Physics : Pccp. 11: 5408-15. PMID 19551209 DOI: 10.1039/B818533F |
0.457 |
|
| 2009 |
Frantz DK, Sullivan AA, Yasui Y, Linden A, Baldridge KK, Siegel JS. Synthesis, X-ray crystal structures, and computational studies of 1,1'-bridged 4,4'-diaryl-2,2'-bibenzimidazoles: building blocks for supramolecular structures. Organic & Biomolecular Chemistry. 7: 2347-52. PMID 19462044 DOI: 10.1039/B820502G |
0.564 |
|
| 2009 |
Rahanyan N, Linden A, Baldridge KK, Siegel JS. Diels-Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives. Organic & Biomolecular Chemistry. 7: 2082-92. PMID 19421446 DOI: 10.1039/B820551E |
0.507 |
|
| 2009 |
Duttwyler S, Zhang Y, Linden A, Reed CA, Baldridge KK, Siegel JS. Synthesis and crystal structure of a silyl-stabilized allyl cation formed by disruption of an arene by a protonation-hydrosilylation sequence. Angewandte Chemie (International Ed. in English). 48: 3787-90. PMID 19378308 DOI: 10.1002/Anie.200900098 |
0.539 |
|
| 2009 |
Peverati R, Siegel JS, Baldridge KK. Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation. Physical Chemistry Chemical Physics : Pccp. 11: 2387-95. PMID 19325970 DOI: 10.1039/B816782F |
0.728 |
|
| 2009 |
Merz L, Parschau M, Zoppi L, Baldridge KK, Siegel JS, Ernst KH. Reversible phase transitions in a buckybowl monolayer. Angewandte Chemie (International Ed. in English). 48: 1966-9. PMID 19212994 DOI: 10.1002/Anie.200804563 |
0.415 |
|
| 2009 |
Merz L, Parschau M, Zoppi L, Baldridge K, Siegel J, Ernst K. Reversible Phasenübergänge in Buckybowl-Monoschichten Angewandte Chemie. 121: 2000-2003. DOI: 10.1002/Ange.200804563 |
0.44 |
|
| 2008 |
Peverati R, Baldridge KK. Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons. Journal of Chemical Theory and Computation. 4: 2030-48. PMID 26620476 DOI: 10.1021/Ct800252Z |
0.679 |
|
| 2008 |
Wu YT, Bandera D, Maag R, Linden A, Baldridge KK, Siegel JS. Multiethynyl corannulenes: synthesis, structure, and properties. Journal of the American Chemical Society. 130: 10729-39. PMID 18642812 DOI: 10.1021/Ja802334N |
0.519 |
|
| 2008 |
Holland RL, Bunker KD, Chen CH, DiPasquale AG, Rheingold AL, Baldridge KK, O'Connor JM. Reactions of a metallacyclobutene complex with alkenes. Journal of the American Chemical Society. 130: 10093-5. PMID 18616253 DOI: 10.1021/Ja803701Z |
0.305 |
|
| 2008 |
Cozzi F, Annunziata R, Benaglia M, Baldridge KK, Aguirre G, Estrada J, Sritana-Anant Y, Siegel JS. Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations. Physical Chemistry Chemical Physics : Pccp. 10: 2686-94. PMID 18464983 DOI: 10.1039/B800031J |
0.553 |
|
| 2008 |
Duttwyler S, Do QQ, Linden A, Baldridge KK, Siegel JS. Synthesis of 2,6-diarylphenyldimethylsilyl cations: polar-pi distribution of cation character. Angewandte Chemie (International Ed. in English). 47: 1719-22. PMID 18205154 DOI: 10.1002/Anie.200705291 |
0.48 |
|
| 2008 |
Hayama T, Baldridge KK, Wu YT, Linden A, Siegel JS. Steric isotope effects gauged by the bowl-inversion barrier in selectively deuterated pentaarylcorannulenes. Journal of the American Chemical Society. 130: 1583-91. PMID 18193866 DOI: 10.1021/Ja073052Y |
0.521 |
|
| 2007 |
Hayama T, Wu YT, Linden A, Baldridge KK, Siegel JS. Synthesis, structure, and isomerization of decapentynylcorannulene: enediyne cyclization/interconversion of C(40)R(10) isomers. Journal of the American Chemical Society. 129: 12612-3. PMID 17900116 DOI: 10.1021/Ja074403B |
0.54 |
|
| 2007 |
Terraneo G, Potenza D, Canales A, Jiménez-Barbero J, Baldridge KK, Bernardi A. A simple model system for the study of carbohydrate--aromatic interactions. Journal of the American Chemical Society. 129: 2890-900. PMID 17309255 DOI: 10.1021/Ja066633G |
0.367 |
|
| 2006 |
Siegel JS, Baldridge KK, Linden A, Dorta R. d8 rhodium and iridium complexes of corannulene. Journal of the American Chemical Society. 128: 10644-5. PMID 16910635 DOI: 10.1021/Ja062110X |
0.531 |
|
| 2006 |
Hamura T, Ibusuki Y, Uekusa H, Matsumoto T, Siegel JS, Baldridge KK, Suzuki K. Dodecamethoxy- and hexaoxotricyclobutabenzene: synthesis and characterization. Journal of the American Chemical Society. 128: 10032-3. PMID 16881630 DOI: 10.1021/Ja064063E |
0.565 |
|
| 2006 |
Wu YT, Hayama T, Baldridge KK, Linden A, Siegel JS. Synthesis of fluoranthenes and indenocorannulenes: elucidation of chiral stereoisomers on the basis of static molecular bowls. Journal of the American Chemical Society. 128: 6870-84. PMID 16719467 DOI: 10.1021/Ja058391A |
0.548 |
|
| 2006 |
DeClue MS, Baldridge KK, Kast P, Hilvert D. Experimental and computational investigation of the uncatalyzed rearrangement and elimination reactions of isochorismate. Journal of the American Chemical Society. 128: 2043-51. PMID 16464106 DOI: 10.1021/Ja056714X |
0.301 |
|
| 2006 |
Yerushalmi R, Brandis A, Rosenbach-Belkin V, Baldridge KK, Scherz A. Modulation of fragmental charge transfer via hydrogen bonds. Direct measurement of electronic contributions. The Journal of Physical Chemistry. A. 110: 412-21. PMID 16405312 DOI: 10.1021/Jp052809+ |
0.321 |
|
| 2005 |
DeClue MS, Baldridge KK, Künzler DE, Kast P, Hilvert D. Isochorismate pyruvate lyase: a pericyclic reaction mechanism? Journal of the American Chemical Society. 127: 15002-3. PMID 16248620 DOI: 10.1021/Ja055871T |
0.339 |
|
| 2004 |
Yerushalmi R, Scherz A, Baldridge KK. Direct experimental evaluation of charge scheme performance by a molecular charge-meter. Journal of the American Chemical Society. 126: 5897-905. PMID 15125682 DOI: 10.1021/Ja039545U |
0.324 |
|
| 2004 |
Seiders TJ, Baldridge KK, O'Connor JM, Siegel JS. Ring selectivity and migratory aptitude of Cp*Ru+ complexation to acecorannulene. Chemical Communications (Cambridge, England). 950-1. PMID 15069489 DOI: 10.1039/B316061K |
0.528 |
|
| 2004 |
Baldridge KK, Siegel JS. Stabilization of benzene versus oligoacetylenes: Not another scale for aromaticity Journal of Physical Organic Chemistry. 17: 740-742. DOI: 10.1002/Poc.819 |
0.499 |
|
| 2003 |
Yerushalmi R, Baldridge KK, Scherz A. An experimental look into subelectron charge flow. Journal of the American Chemical Society. 125: 12706-7. PMID 14558808 DOI: 10.1021/Ja035946Y |
0.317 |
|
| 2003 |
Cozzi F, Annunziata R, Benaglia M, Cinquini M, Raimondi L, Baldridge KK, Siegel JS. Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar-pi effects. Organic & Biomolecular Chemistry. 1: 157-62. PMID 12929404 DOI: 10.1039/B208871A |
0.544 |
|
| 2003 |
Baldridge KK, Donovan-Merkert BT, O'Connor JM, Lee LI, Closson A, Fandrick D, Tran T, Bunker KD, Fouzi M, Gantzel P. Ring-strain effects on the oxidation potential of enediynes and enediyne complexes. Organic & Biomolecular Chemistry. 1: 763-6. PMID 12929356 DOI: 10.1039/B209285A |
0.307 |
|
| 2003 |
Grube GH, Elliott EL, Steffens RJ, Jones CS, Baldridge KK, Siegel JS. Synthesis and properties of sym-pentasubstituted derivatives of corannulene. Organic Letters. 5: 713-6. PMID 12605497 DOI: 10.1021/Ol027565F |
0.47 |
|
| 2003 |
Kobayashi C, Baldridge K, Onuchic JN. Multiple versus single pathways in electron transfer in proteins: Influence of protein dynamics and hydrogen bonds Journal of Chemical Physics. 119: 3550-3558. DOI: 10.1063/1.1588293 |
0.326 |
|
| 2003 |
Gregerson LN, McMorris TC, Siegel JS, Baldridge KK. Ab Initio Structure/Reactivity Investigations of Illudin-Based Antitumor Agents: A Model for Reaction in vivo Helvetica Chimica Acta. 86: 4133-4151. DOI: 10.1002/Hlca.200390341 |
0.778 |
|
| 2003 |
Gregerson LN, Baldridge KK. Outlying Charge, Stability, Efficiency, and Algorithmic Enhancements in the Quantum‐Mechanical Solvation Method, COSab‐GAMESS Helvetica Chimica Acta. 86: 4112-4132. DOI: 10.1002/Hlca.200390340 |
0.767 |
|
| 2003 |
Baldridge KK, Nambu M, Siegel JS. Structural effects of group VI metal tricarbonyl binding to benzenoid rings: Interruption of conjugation or enhanced aromaticity? Helvetica Chimica Acta. 86: 1587-1597. DOI: 10.1002/Hlca.200390136 |
0.558 |
|
| 2002 |
Yerushalmi R, Noy D, Baldridge KK, Scherz A. Mutual control of axial and equatorial ligands: model studies with [Ni]-bacteriochlorophyll-a. Journal of the American Chemical Society. 124: 8406-15. PMID 12105922 DOI: 10.1021/Ja0121078 |
0.315 |
|
| 2002 |
Baldridge KK, Siegel JS. Directing power of cyclobutenoid annelations on the double bonds of planar cyclooctatetraenes. Journal of the American Chemical Society. 124: 5514-7. PMID 11996594 DOI: 10.1021/Ja017209C |
0.554 |
|
| 2002 |
Brumer Y, Shapiro M, Brumer P, Baldridge KK. Controlled Alcohol−Ketone Interconversion by Dihydrogen Transfer: An ab Initio Study of the Methanol−Formaldehyde Complex The Journal of Physical Chemistry A. 106: 9512-9519. DOI: 10.1021/Jp020689P |
0.311 |
|
| 2001 |
Baldridge KK, Siegel JS. Quantum mechanical designs toward planar delocalized cyclooctatetraene: a new target for synthesis. Journal of the American Chemical Society. 123: 1755-9. PMID 11456777 DOI: 10.1021/Ja003383+ |
0.566 |
|
| 2001 |
Seiders TJ, Baldridge KK, Grube GH, Siegel JS. Structure/energy correlation of bowl depth and inversion barrier in corannulene derivatives: combined experimental and quantum mechanical analysis. Journal of the American Chemical Society. 123: 517-25. PMID 11456563 DOI: 10.1021/Ja0019981 |
0.534 |
|
| 2001 |
Jon Seiders T, Baldridge KK, Siegel JS. Baskets, covered baskets, and basket balls: Corannulene based cyclophanes as fullerene mimics Tetrahedron. 57: 3737-3742. DOI: 10.1016/S0040-4020(01)00242-3 |
0.556 |
|
| 2000 |
Baldridge KK, Jonas V, Bain AD. Ground state gas and solution phase conformational dynamics of polar processes: Furfural systems Journal of Chemical Physics. 113: 7519-7529. DOI: 10.1063/1.1313790 |
0.325 |
|
| 2000 |
Baldridge KK, Jonas V. Implementation and refinement of the modified-conductorlike screening quantum mechanical solvation model at the MP2 level Journal of Chemical Physics. 113: 7511-7518. DOI: 10.1063/1.1313789 |
0.315 |
|
| 2000 |
Gregerson LN, Siegel JS, Baldridge KK. Ab initio computational study of environmentally harmful gasoline additives: Methyl tert-butyl ether and analogues Journal of Physical Chemistry A. 104: 11106-11110. DOI: 10.1021/Jp002055T |
0.775 |
|
| 1999 |
Baldridge KK, O'Connor JM, Chen M, Siegel JS. Envelope-Flip Dynamics in CpCo(Diene) Complexes: an ab Initio Quantum Mechanical Study The Journal of Physical Chemistry A. 103: 10126-10131. DOI: 10.1021/Jp992322Z |
0.555 |
|
| 1999 |
Baldridge KK, Siegel JS. Correlation of Empirical δ(TMS) and Absolute NMR Chemical Shifts Predicted by ab Initio Computations The Journal of Physical Chemistry A. 103: 4038-4042. DOI: 10.1021/Jp990523X |
0.524 |
|
| 1999 |
Chen YT, Baldridge KK, Ho DM, Pascal RA. Interconversion and Reactions ofIn- andOut-Isomers of a Triarylphosphine-Containing Cyclophane Journal of the American Chemical Society. 121: 12082-12087. DOI: 10.1021/Ja993503H |
0.345 |
|
| 1999 |
Seiders TJ, Baldridge KK, Elliott EL, Grube GH, Siegel JS. Synthesis and quantum mechanical structure of sym-pentamethylcorannulene and decamethylcorannulene [18] Journal of the American Chemical Society. 121: 7439-7440. DOI: 10.1021/Ja991486Q |
0.507 |
|
| 1999 |
Barnett L, Ho DM, Baldridge KK, Pascal RA. The Structure of Hexabenzotriphenylene and the Problem of Overcrowded “D3h” Polycyclic Aromatic Compounds Journal of the American Chemical Society. 121: 727-733. DOI: 10.1021/Ja983471I |
0.34 |
|
| 1999 |
Baldridge KK, Leahy J, Siegel JS. Reinvestigation of σ-allyl cations: High level ab initio quantum mechanical predictions Tetrahedron Letters. 40: 3503-3506. DOI: 10.1016/S0040-4039(99)00542-0 |
0.537 |
|
| 1998 |
Baldridge KK, Biggs B, Bläser D, Boese R, Gilbertson RD, Haley MM, Maulitz AH, Siegel JS. X-Ray crystal and ab initio structure of 3-ethynylcyclopropene: A curiously short carbon-carbon double bond Chemical Communications. 1137-1138. DOI: 10.1039/A801217B |
0.529 |
|
| 1998 |
Baldridge KK, Kasahara Y, Ogawa K, Siegel JS, Tanaka K, Toda F. The nature of the long bond in 3,8-dichloro-1,1,2,2-tetraphenylcyclobuta[b]naphthene Journal of the American Chemical Society. 120: 6167-6168. DOI: 10.1021/Ja980498T |
0.479 |
|
| 1997 |
Baldridge K, Klamt A. First Principles Implementation of Solvent Effects Without Outlying Charge Error Journal of Chemical Physics. 106: 6622-6633. DOI: 10.1063/1.473662 |
0.311 |
|
| 1997 |
Seiders TJ, Baldridge KK, O'Connor JM, Siegel JS. Hexahapto metal coordination to curved polyaromatic hydrocarbon surfaces: The first transition metal corannulene complex Journal of the American Chemical Society. 119: 4781-4782. DOI: 10.1021/Ja964380T |
0.465 |
|
| 1997 |
Baldridge KK, Siegel JS. Corannulene-based fullerene fragments C 20 H 10 -C 50 H 10 : when does a buckybowl become a buckytube? Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 97: 67-71. DOI: 10.1007/S002140050238 |
0.501 |
|
| 1997 |
Baldridge KK, Siegel JS. Ab Initio Density Funtional vs Hartree Fock Predictions for the Structure of[18]Annulene: Evidence for Bond Localization and Diminished Ring Currents in Bicycloannelated[18]Annulenes Angewandte Chemie International Edition in English. 36: 745-748. DOI: 10.1002/Anie.199707451 |
0.531 |
|
| 1997 |
Baldridge KK, Siegel JS. Voraussagen zur Struktur von [18]Annulenen mit ab-initio-Dichtefunktional- und Hartree-Fock-Rechnungen im Vergleich: Belege für Bindungslokalisierung und verringerte Ringströme in bicycloanellierten [18]Annulenen Angewandte Chemie. 109: 765-768. DOI: 10.1002/Ange.19971090715 |
0.504 |
|
| 1996 |
Baldridge KK, Siegel JS. Structure and Dynamics of the Cr(CO)3Complexes of Triquinacene and Dimethylenecyclobutene by Hartree−Fock and Density Functional Methods The Journal of Physical Chemistry. 100: 6111-6115. DOI: 10.1021/Jp9527517 |
0.554 |
|
| 1996 |
Mitchell RH, Chen Y, Iyer VS, Lau DYK, Baldridge KK, Siegel JS. Bond fixation in a [14]annulene: Synthesis, characterization, and ab initio computations of furan adducts of dimethyldihydropyrene Journal of the American Chemical Society. 118: 2907-2911. DOI: 10.1021/Ja953795W |
0.565 |
|
| 1996 |
Chen C, Gantzel P, Siegel JS, Baldridge KK, English RB, Ho DM. Synthesis and Structure of the Nanodimensional Multicyclophane“Kuratowski Cyclophane”, an Achiral Molecule with NonplanarK3,3 Topology Angewandte Chemie International Edition in English. 34: 2657-2660. DOI: 10.1002/Anie.199526571 |
0.521 |
|
| 1995 |
Kahr B, Mitchell CA, Chance JM, VernonClark R, Gantzel P, Baldridge KK, Siegel JS. The central bond length in 1,2-diarylethanes Journal of the American Chemical Society. 117: 4479-4482. DOI: 10.1021/Ja00121A006 |
0.543 |
|
| 1995 |
Frank NL, Baldridge KK, Siegel JS. Synthesis and characterization of trisbicyclo[2.1.1]hexabenzene, a highly strained bicycloannelated benzene Journal of the American Chemical Society. 117: 2102-2103. DOI: 10.1021/Ja00112A028 |
0.469 |
|
| 1995 |
Frank NL, Baldridge KK, Gantzel P, Siegel JS. Partial bond localization in the crystal structure of trisbicyclo[2.2.1]heptabenzene and its effect on Cr-arene dynamics Tetrahedron Letters. 36: 4389-4392. DOI: 10.1016/0040-4039(95)00857-9 |
0.523 |
|
| 1995 |
Venugopalan P, Bürgi HB, Frank NL, Baldridge KK, Siegel JS. The crystal structure of a heptiptycene-chlorobenzene clathrate Tetrahedron Letters. 36: 2419-2422. DOI: 10.1016/0040-4039(95)00318-7 |
0.558 |
|
| 1995 |
Battersby TR, Gantzel P, Baldridge KK, Siegel JS. Long CC single bonds in anthracene dimers: The structure of bi(anthracene-9,10-dimethylene) photodimer is redetermined Tetrahedron Letters. 36: 845-848. DOI: 10.1016/0040-4039(94)02396-S |
0.533 |
|
| 1995 |
Bürgi HB, Baldridge KK, Hardcastle K, Frank NL, Gantzel P, Siegel JS, Ziller J. X-ray diffraction evidence for a cyclohexatriene motif in the molecular structure of tris(bicyclo[2.1.1]hexeno)benzene: Bond alternation after the refutation of the mills-nixon theory Angewandte Chemie (International Edition in English). 34: 1454-1456. DOI: 10.1002/Anie.199514541 |
0.532 |
|
| 1995 |
Bürgi H, Siegel JS, Frank NL, Gantzel P, Baldridge KK, Hardcastle K, Ziller J. Kristallographischer Nachweis der Cyclohexatrien-Struktur von Tris(bicyclo[2.1.1]hexeno)benzol: Bindungslängenalternanz nach Widerlegung der Mills-Nixon-Theorie Angewandte Chemie. 107: 1575-1577. DOI: 10.1002/Ange.19951071313 |
0.477 |
|
| 1993 |
Nicolaou KC, Dai WM, Hong YP, Baldridge KK, Siegel JS, Tsay SC. Molecular design, chemical synthesis, kinetic studies, calculations, and biological studies of novel enediynes equipped with triggering, detection, and deactivating devices. Model dynemicin A epoxide and cis-diol systems Journal of the American Chemical Society. 115: 7944-7953. DOI: 10.1021/Ja00071A003 |
0.509 |
|
| 1993 |
Nambu M, Mohler DL, Hardcastle K, Baldridge KK, Siegel JS. Synthesis, structure, and dynamics of endo-(starphenylene)chromium tricarbonyl derivatives: observation of metal-arene migration and hindered metal-tripod rotation Journal of the American Chemical Society. 115: 6138-6142. DOI: 10.1021/Ja00067A032 |
0.509 |
|
| 1993 |
Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA. General atomic and molecular electronic structure system Journal of Computational Chemistry. 14: 1347-1363. DOI: 10.1002/Jcc.540141112 |
0.745 |
|
| 1992 |
Lofthagen M, VernonClark R, Baldridge KK, Siegel JS. Synthesis of trioxatricornan and derivatives. Useful keystones for the construction of rigid molecular cavities The Journal of Organic Chemistry. 57: 61-69. DOI: 10.1021/Jo00027A015 |
0.504 |
|
| 1992 |
Baldridge KK, Siegel JS. Bond alternation in triannelated benzenes: dissection of cyclic .pi. from Mills-Nixon effects Journal of the American Chemical Society. 114: 9583-9587. DOI: 10.1021/Ja00050A043 |
0.566 |
|
| 1992 |
Borchardt A, Fuchicello A, Kilway KV, Baldridge KK, Siegel JS. Synthesis and dynamics of the corannulene nucleus Journal of the American Chemical Society. 114: 1921-1923. DOI: 10.1021/Ja00031A080 |
0.459 |
|
| 1992 |
Nambu M, Hardcastle K, Baldridge KK, Siegel JS. Structure of centrally bound angular-(terphenylene)chromium tricarbonyl Journal of the American Chemical Society. 114: 369-371. DOI: 10.1021/Ja00027A062 |
0.487 |
|
| 1992 |
Jensen JH, Baldridge KK, Gordon MS. Uncatalyzed peptide bond formation in the gas phase The Journal of Physical Chemistry. 96: 8340-8351. DOI: 10.1021/J100200A025 |
0.612 |
|
| 1989 |
Truong TN, Truhlar DG, Baldridge KK, Gordon MS, Steckler R. Transition state structure, barrier height, and vibrational frequencies for the reaction Cl+CH4→CH3+HCl The Journal of Chemical Physics. 90: 7137-7142. DOI: 10.1063/1.456244 |
0.543 |
|
| 1989 |
Baldridge KK, Gordon MS, Steckler R, Truhlar DG. Ab initio reaction paths and direct dynamics calculations The Journal of Physical Chemistry. 93: 5107-5119. DOI: 10.1021/J100350A018 |
0.572 |
|
| 1989 |
Gordon MS, Baldridge KK, Bernholdt DE, Bartlett RJ. The transition state and barrier heights for the reaction O(3P) +HCl→OH+Cl Chemical Physics Letters. 158: 189-192. DOI: 10.1016/0009-2614(89)87319-1 |
0.468 |
|
| 1988 |
Baldridge KK, Gordon MS. Potentially aromatic metallocycles Journal of the American Chemical Society. 110: 4204-4208. DOI: 10.1021/Ja00221A018 |
0.514 |
|
| 1988 |
Garrett BC, Redmon MJ, Steckler R, Truhlar DG, Baldridge KK, Bartol D, Schmidt MW, Gordon MS. Algorithms and accuracy requirements for computing reaction paths by the method of steepest descent The Journal of Physical Chemistry. 92: 1476-1488. DOI: 10.1021/J100317A022 |
0.512 |
|
| 1987 |
Baldridge KK, Boatz JA, Koseki S, Gordon MS. Theoretical Studies of Silicon Chemistry Annual Review of Physical Chemistry. 38: 211-252. DOI: 10.1146/Annurev.Pc.38.100187.001235 |
0.405 |
|
| 1987 |
Baldridge KK, Gordon MS, Johnson DE. Thermal decomposition of methanethiol and ethanethiol The Journal of Physical Chemistry. 91: 4145-4155. DOI: 10.1021/J100299A040 |
0.362 |
|
| 1985 |
Davis LP, Burggraf LW, Gordon MS, Baldridge KK. A theoretical study of fluorine atom and fluoride ion attack on methane and silane Journal of the American Chemical Society. 107: 4415-4419. DOI: 10.1002/Chin.198545094 |
0.646 |
|
| 1984 |
Baldridge KK, Gordon MS. Theoretical studies of disilabenzenes Journal of Organometallic Chemistry. 271: 369-379. DOI: 10.1016/0022-328X(84)85189-X |
0.509 |
|
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