| Year |
Citation |
Score |
| 2023 |
Maji R, Mallojjala SC, Wheeler SE. Electrostatic Interactions in Asymmetric Organocatalysis. Accounts of Chemical Research. PMID 37410532 DOI: 10.1021/acs.accounts.3c00198 |
0.825 |
|
| 2022 |
Gao S, Duan M, Andreola LR, Yu P, Wheeler SE, Houk KN, Chen M. Unusual Enantiodivergence in Chiral Brønsted Acid-Catalyzed Asymmetric Allylation with β-Alkenyl Allylic Boronates. Angewandte Chemie (International Ed. in English). PMID 35989224 DOI: 10.1002/anie.202208908 |
0.705 |
|
| 2020 |
Harding DP, Kingsley LJ, Spraggon G, Wheeler SE. Importance of model size in quantum mechanical studies of DNA intercalation. Journal of Computational Chemistry. PMID 32011009 DOI: 10.1002/Jcc.26164 |
0.633 |
|
| 2020 |
Laconsay CJ, Seguin TJ, Wheeler SE. Modulating Stereoselectivity through Electrostatic Interactions in a SPINOL-Phosphoric Acid Catalyzed Synthesis of 2,3-Dihydroquinazolinones Acs Catalysis. DOI: 10.1021/Acscatal.0C02578 |
0.785 |
|
| 2020 |
Geng C, Zhu R, Zhang D, Lu T, Wheeler SE, Liu C. Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective Molecular Catalysis. 483: 110712. DOI: 10.1016/J.Mcat.2019.110712 |
0.78 |
|
| 2019 |
Bootsma AN, Wheeler SE. Converting SMILES to Stacking Interaction Energies. Journal of Chemical Information and Modeling. PMID 31310532 DOI: 10.1021/Acs.Jcim.9B00379 |
0.817 |
|
| 2019 |
Bootsma AN, Doney AC, Wheeler SE. Predicting the Strength of Stacking Interactions between Heterocycles and Aromatic Amino Acid Side Chains. Journal of the American Chemical Society. PMID 31267750 DOI: 10.1021/Jacs.9B00936 |
0.807 |
|
| 2019 |
Maji R, Ugale H, Wheeler SE. Understanding the Reactivity and Selectivity of Fluxional Chiral DMAP-Catalyzed Kinetic Resolutions of Axially Chiral Biaryls. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30657217 DOI: 10.1002/Chem.201806068 |
0.806 |
|
| 2018 |
Harding DP, Bootsma AN, Wheeler SE. Better Sensing through Stacking: The Role of Non-Covalent Interactions in Guanine Binding Sensors. The Journal of Physical Chemistry. B. PMID 30582336 DOI: 10.1021/Acs.Jpcb.8B12158 |
0.783 |
|
| 2018 |
Bootsma AN, Wheeler SE. Tuning Stacking Interactions between Asp-Arg Salt-Bridges and Heterocyclic Drug Fragments. Journal of Chemical Information and Modeling. PMID 30507185 DOI: 10.1021/Acs.Jcim.8B00563 |
0.811 |
|
| 2018 |
Ellenbarger J, Krieger I, Huang HL, Gómez-Coca S, Ioerger TR, Sacchettini JC, Wheeler SE, Dunbar KR. Anion-π Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. Journal of Chemical Information and Modeling. PMID 30137983 DOI: 10.1021/acs.jcim.8b00417 |
0.413 |
|
| 2018 |
Guan Y, Ingman VM, Rooks BJ, Wheeler SE. AARON: An Automated Reaction Optimizer for New Catalysts. Journal of Chemical Theory and Computation. PMID 30095903 DOI: 10.1021/Acs.Jctc.8B00578 |
0.74 |
|
| 2018 |
Walker TL, Taschner IS, Chandra M S, Taschner MJ, Engle JT, Schrage BR, Ziegler CJ, Gao X, Wheeler SE. Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment. The Journal of Organic Chemistry. PMID 30067366 DOI: 10.1021/Acs.Joc.8B01382 |
0.321 |
|
| 2018 |
Bootsma AN, Wheeler SE. Stacking Interactions of Heterocyclic Drug Fragments with Protein Amide Backbones. Chemmedchem. PMID 29451739 DOI: 10.1002/Cmdc.201700721 |
0.808 |
|
| 2018 |
Maji R, Mallojjala SC, Wheeler SE. Chiral phosphoric acid catalysis: from numbers to insights. Chemical Society Reviews. PMID 29355873 DOI: 10.1039/C6Cs00475J |
0.793 |
|
| 2017 |
Lin JB, Jin Y, Lopez SA, Druckerman N, Wheeler SE, Houk KN. Torsional Barriers to Rotation and Planarization in Heterocyclic Oligomers of Value in Organic Electronics. Journal of Chemical Theory and Computation. PMID 29016124 DOI: 10.1021/Acs.Jctc.7B00709 |
0.671 |
|
| 2017 |
Maji R, Wheeler SE. Importance of Electrostatic Effects in the Stereoselectivity of NHC-Catalyzed Kinetic Resolutions. Journal of the American Chemical Society. PMID 28823166 DOI: 10.1021/Jacs.7B01796 |
0.807 |
|
| 2017 |
Sepúlveda D, Guan Y, Rangel U, Wheeler SE. Stacked homodimers of substituted contorted hexabenzocoronenes and their complexes with C60 fullerene. Organic & Biomolecular Chemistry. PMID 28682406 DOI: 10.1039/C7Ob01333G |
0.692 |
|
| 2017 |
Guan Y, Wheeler SE. Automated Quantum Mechanical Predictions of Enantioselectivity in a Rh-Catalyzed Asymmetric Hydrogenation. Angewandte Chemie (International Ed. in English). PMID 28586140 DOI: 10.1002/Anie.201704663 |
0.754 |
|
| 2017 |
Guan Y, Jones ML, Miller AE, Wheeler SE. Conformational behavior and stacking interactions of contorted polycyclic aromatics. Physical Chemistry Chemical Physics : Pccp. PMID 28513691 DOI: 10.1039/C7Cp02637D |
0.736 |
|
| 2017 |
Bilbrey JA, Bootsma AN, Bartlett M, Locklin J, Wheeler SE, Allen WD. Ring-Walking of Zerovalent Nickel on Aryl Halides. Journal of Chemical Theory and Computation. PMID 28277658 DOI: 10.1021/Acs.Jctc.6B01143 |
0.795 |
|
| 2017 |
Nimmagadda SK, Mallojjala SC, Woztas L, Wheeler SE, Antilla JC. Enantioselective Synthesis of Chiral Oxime Ethers: Desymmetrization and Dynamic Kinetic Resolution of Substituted Cyclohexanones. Angewandte Chemie (International Ed. in English). PMID 28111889 DOI: 10.1002/Anie.201611602 |
0.795 |
|
| 2017 |
Maji R, Champagne PA, Houk KN, Wheeler SE. Activation Mode and Origin of Selectivity in Chiral Phosphoric Acid-Catalyzed Oxacycle Formation by Intramolecular Oxetane Desymmetrizations Acs Catalysis. 7: 7332-7339. DOI: 10.1021/Acscatal.7B02993 |
0.799 |
|
| 2017 |
Guan Y, Wheeler SE. Intercolumnar Interactions Control the Local Orientations within Columnar Stacks of Sumanene and Sumanene Derivatives The Journal of Physical Chemistry C. 121: 8541-8547. DOI: 10.1021/Acs.Jpcc.7B02128 |
0.724 |
|
| 2017 |
Hall AO, Lee SR, Bootsma AN, Bloom JWG, Wheeler SE, McNeil AJ. Reactive ligand influence on initiation in phenylene catalyst-transfer polymerization Journal of Polymer Science Part a: Polymer Chemistry. 55: 1530-1535. DOI: 10.1002/Pola.28519 |
0.765 |
|
| 2016 |
Zhu C, Mu AU, Lin YH, Guo ZH, Yuan T, Wheeler SE, Fang L. Molecular Coplanarity and Self-Assembly Promoted by Intramolecular Hydrogen Bonds. Organic Letters. 18: 6332-6335. PMID 27978664 DOI: 10.1021/Acs.Orglett.6B03225 |
0.316 |
|
| 2016 |
Seguin TJ, Wheeler SE. Stacking and Electrostatic Interactions Drive the Stereoselectivity of Silylium-Ion Asymmetric Counteranion-Directed Catalysis. Angewandte Chemie (International Ed. in English). PMID 27860103 DOI: 10.1002/Anie.201609095 |
0.755 |
|
| 2016 |
Wheeler SE, Seguin TJ, Guan Y, Doney AC. Noncovalent Interactions in Organocatalysis and the Prospect of Computational Catalyst Design. Accounts of Chemical Research. PMID 27110641 DOI: 10.1021/Acs.Accounts.6B00096 |
0.839 |
|
| 2016 |
Zhu C, Guo ZH, Mu AU, Liu Y, Wheeler SE, Fang L. Low Bandgap Coplanar Conjugated Molecules Featuring Dynamic Intramolecular Lewis Acid-Base Coordination. The Journal of Organic Chemistry. PMID 27096728 DOI: 10.1021/Acs.Joc.6B00238 |
0.361 |
|
| 2016 |
An Y, Doney AC, Andrade RB, Wheeler SE. Stacking Interactions between 9-Methyladenine and Heterocycles Commonly Found in Pharmaceuticals. Journal of Chemical Information and Modeling. PMID 27074615 DOI: 10.1021/Acs.Jcim.5B00651 |
0.649 |
|
| 2016 |
Doney AC, Rooks BJ, Lu T, Wheeler SE. Design of Organocatalysts for Asymmetric Propargylations through Computational Screening Acs Catalysis. 6: 7948-7955. DOI: 10.1021/Acscatal.6B02366 |
0.763 |
|
| 2016 |
Seguin TJ, Wheeler SE. Competing Noncovalent Interactions Control the Stereoselectivity of Chiral Phosphoric Acid Catalyzed Ring Openings of 3-Substituted Oxetanes Acs Catalysis. 6: 7222-7228. DOI: 10.1021/Acscatal.6B01915 |
0.793 |
|
| 2016 |
Seguin TJ, Wheeler SE. Electrostatic Basis for Enantioselective Brønsted-Acid-Catalyzed Asymmetric Ring Openings of meso-Epoxides Acs Catalysis. 6: 2681-2688. DOI: 10.1021/Acscatal.6B00538 |
0.773 |
|
| 2016 |
Zhang S, Lv P, Jia C, Zhu R, Lu T, Wheeler SE. Mechanism and Origin of Selectivity in Platinum(II)-Catalyzed Reactions of Acyclic γ,δ-Ynones with Alkenes Chemcatchem. 8: 2771-2780. DOI: 10.1002/Cctc.201600167 |
0.77 |
|
| 2015 |
An Y, Bloom JW, Wheeler SE. Quantifying the π-Stacking Interactions in Nitroarene Binding Sites of Proteins. The Journal of Physical Chemistry. B. PMID 26491883 DOI: 10.1021/Acs.Jpcb.5B08126 |
0.751 |
|
| 2015 |
Kokkonda P, Brown KR, Seguin TJ, Wheeler SE, Vaddypally S, Zdilla MJ, Andrade RB. Biomimetic Total Syntheses of (-)-Leucoridines A and C through the Dimerization of (-)-Dihydrovalparicine. Angewandte Chemie (International Ed. in English). PMID 26315453 DOI: 10.1002/Anie.201505198 |
0.725 |
|
| 2015 |
Seguin TJ, Lu T, Wheeler SE. Enantioselectivity in Catalytic Asymmetric Fischer Indolizations Hinges on the Competition of π-Stacking and CH/π Interactions. Organic Letters. 17: 3066-9. PMID 26046695 DOI: 10.1021/Acs.Orglett.5B01349 |
0.814 |
|
| 2015 |
Lu T, Wheeler SE. Organic chemistry. Harnessing weak interactions for enantioselective catalysis. Science (New York, N.Y.). 347: 719-20. PMID 25678648 DOI: 10.1126/Science.Aaa5624 |
0.79 |
|
| 2015 |
Rooks BJ, Haas MR, Sepúlveda D, Lu T, Wheeler SE. Prospects for the Computational Design of Bipyridine N, N ′-Dioxide Catalysts for Asymmetric Propargylation Reactions Acs Catalysis. 5: 272-280. DOI: 10.1021/Cs5012553 |
0.77 |
|
| 2014 |
Bloom JW, Wheeler SE. Benchmark Torsional Potentials of Building Blocks for Conjugated Materials: Bifuran, Bithiophene, and Biselenophene. Journal of Chemical Theory and Computation. 10: 3647-55. PMID 26588510 DOI: 10.1021/Ct5004725 |
0.62 |
|
| 2014 |
Geng C, Zhu R, Li M, Lu T, Wheeler SE, Liu C. Revised role of selectfluor in homogeneous Au-catalyzed oxidative C-O bond formations. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 15833-9. PMID 25293670 DOI: 10.1002/Chem.201404277 |
0.755 |
|
| 2014 |
Sepúlveda D, Lu T, Wheeler SE. Performance of DFT methods and origin of stereoselectivity in bipyridine N,N'-dioxide catalyzed allylation and propargylation reactions. Organic & Biomolecular Chemistry. 12: 8346-53. PMID 25216295 DOI: 10.1039/C4Ob01719F |
0.777 |
|
| 2014 |
Kurra Y, Odoi KA, Lee YJ, Yang Y, Lu T, Wheeler SE, Torres-Kolbus J, Deiters A, Liu WR. Two rapid catalyst-free click reactions for in vivo protein labeling of genetically encoded strained alkene/alkyne functionalities. Bioconjugate Chemistry. 25: 1730-8. PMID 25158039 DOI: 10.1021/Bc500361D |
0.736 |
|
| 2014 |
Wheeler SE, Bloom JW. Anion-π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution. Chemical Communications (Cambridge, England). 50: 11118-21. PMID 25116837 DOI: 10.1039/C4Cc05304D |
0.645 |
|
| 2014 |
Wheeler SE, Bloom JW. Toward a more complete understanding of noncovalent interactions involving aromatic rings. The Journal of Physical Chemistry. A. 118: 6133-47. PMID 24937084 DOI: 10.1021/Jp504415P |
0.697 |
|
| 2014 |
Lu T, Wheeler SE. Quantifying the role of anion-π interactions in anion-π catalysis. Organic Letters. 16: 3268-71. PMID 24915527 DOI: 10.1021/Ol501283U |
0.789 |
|
| 2014 |
An Y, Raju RK, Lu T, Wheeler SE. Aromatic interactions modulate the 5'-base selectivity of the DNA-binding autoantibody ED-10. The Journal of Physical Chemistry. B. 118: 5653-9. PMID 24802982 DOI: 10.1021/Jp502069A |
0.79 |
|
| 2013 |
Raju RK, Bloom JW, Wheeler SE. Broad Transferability of Substituent Effects in π-Stacking Interactions Provides New Insights into Their Origin. Journal of Chemical Theory and Computation. 9: 3479-90. PMID 26584104 DOI: 10.1021/Ct400481R |
0.769 |
|
| 2013 |
Lu T, Wheeler SE. Origin of the superior performance of (thio)squaramides over (thio)ureas in organocatalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15141-7. PMID 24127275 DOI: 10.1002/Chem.201302990 |
0.757 |
|
| 2013 |
Munusamy E, Wheeler SE. Endohedral and exohedral complexes of substituted benzenes with carbon nanotubes and graphene. The Journal of Chemical Physics. 139: 094703. PMID 24028126 DOI: 10.1063/1.4819908 |
0.796 |
|
| 2013 |
Lee SR, Bloom JW, Wheeler SE, McNeil AJ. Accelerating Ni(II) precatalyst initiation using reactive ligands and its impact on chain-growth polymerizations. Dalton Transactions (Cambridge, England : 2003). 42: 4218-22. PMID 23280387 DOI: 10.1039/C2Dt32735J |
0.64 |
|
| 2013 |
Wheeler SE. Understanding substituent effects in noncovalent interactions involving aromatic rings. Accounts of Chemical Research. 46: 1029-38. PMID 22725832 DOI: 10.1021/Ar300109N |
0.458 |
|
| 2013 |
Raju RK, Bloom JWG, Wheeler SE. Broad transferability of substituent effects in π-stacking interactions provides new insights into their origin Journal of Chemical Theory and Computation. 9: 3479-3490. DOI: 10.1021/ct400481r |
0.608 |
|
| 2013 |
Lv P, Zhu R, Lu T, Wheeler SE, Zhang D, Wang R, Liu C. Theoretical study on the origin of enantioselectivity in the primary amine-Brønsted acid catalyzed epoxidation of cyclic enones Tetrahedron Asymmetry. 24: 1598-1604. DOI: 10.1016/J.Tetasy.2013.10.014 |
0.768 |
|
| 2013 |
Lu T, Wheeler SE. Back Cover: Origin of the Superior Performance of (Thio)Squaramides over (Thio)Ureas in Organocatalysis (Chem. Eur. J. 45/2013) Chemistry - a European Journal. 19: 15424-15424. DOI: 10.1002/Chem.201390182 |
0.701 |
|
| 2012 |
Bloom JW, Raju RK, Wheeler SE. Physical Nature of Substituent Effects in XH/π Interactions. Journal of Chemical Theory and Computation. 8: 3167-3174. PMID 26605728 DOI: 10.1021/Ct300520N |
0.768 |
|
| 2012 |
Voronine DV, Sinyukov AM, Hua X, Wang K, Jha PK, Munusamy E, Wheeler SE, Welch G, Sokolov AV, Scully MO. Time-resolved surface-enhanced coherent sensing of nanoscale molecular complexes. Scientific Reports. 2: 891. PMID 23189240 DOI: 10.1038/Srep00891 |
0.756 |
|
| 2012 |
Lu T, Porterfield MA, Wheeler SE. Explaining the disparate stereoselectivities of N-oxide catalyzed allylations and propargylations of aldehydes. Organic Letters. 14: 5310-3. PMID 23050736 DOI: 10.1021/Ol302493D |
0.739 |
|
| 2012 |
Wodrich MD, Corminboeuf C, Wheeler SE. Accurate thermochemistry of hydrocarbon radicals via an extended generalized bond separation reaction scheme. The Journal of Physical Chemistry. A. 116: 3436-47. PMID 22385306 DOI: 10.1021/Jp212209Q |
0.386 |
|
| 2012 |
Vujanovich EC, Bloom JW, Wheeler SE. Impact of neighboring chains on torsional defects in oligothiophenes. The Journal of Physical Chemistry. A. 116: 2997-3003. PMID 22339403 DOI: 10.1021/Jp210543Z |
0.626 |
|
| 2012 |
Khakshoor O, Wheeler SE, Houk KN, Kool ET. Measurement and theory of hydrogen bonding contribution to isosteric DNA base pairs. Journal of the American Chemical Society. 134: 3154-63. PMID 22300089 DOI: 10.1021/Ja210475A |
0.462 |
|
| 2012 |
Lu T, Zhu R, An Y, Wheeler SE. Origin of enantioselectivity in the propargylation of aromatic aldehydes catalyzed by helical N-oxides. Journal of the American Chemical Society. 134: 3095-102. PMID 22229866 DOI: 10.1021/Ja209241N |
0.816 |
|
| 2012 |
Wheeler SE. Controlling the local arrangements of π-stacked polycyclic aromatic hydrocarbons through substituent effects Crystengcomm. 14: 6140-6145. DOI: 10.1039/C2Ce25630D |
0.427 |
|
| 2012 |
Bloom JWG, Raju RK, Wheeler SE. Physical nature of substituent effects in XH/π interactions Journal of Chemical Theory and Computation. 8: 3167-3174. DOI: 10.1021/ct300520n |
0.602 |
|
| 2012 |
Wheeler SE. Homodesmotic reactions for thermochemistry Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 204-220. DOI: 10.1002/Wcms.72 |
0.365 |
|
| 2011 |
Lan Y, Wheeler SE, Houk KN. Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study. Journal of Chemical Theory and Computation. 7: 2104-2111. PMID 26606482 DOI: 10.1021/Ct200293W |
0.483 |
|
| 2011 |
Raju RK, Bloom JW, An Y, Wheeler SE. Substituent effects on non-covalent interactions with aromatic rings: insights from computational chemistry. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 3116-30. PMID 21928437 DOI: 10.1002/Cphc.201100542 |
0.811 |
|
| 2011 |
Bloom JW, Wheeler SE. Taking the aromaticity out of aromatic interactions. Angewandte Chemie (International Ed. in English). 50: 7847-9. PMID 21732511 DOI: 10.1002/Anie.201102982 |
0.688 |
|
| 2011 |
Wheeler SE. Local nature of substituent effects in stacking interactions. Journal of the American Chemical Society. 133: 10262-74. PMID 21599009 DOI: 10.1021/Ja202932E |
0.453 |
|
| 2010 |
Wheeler SE, Houk KN. Are anion/pi interactions actually a case of simple charge-dipole interactions? The Journal of Physical Chemistry. A. 114: 8658-64. PMID 20433187 DOI: 10.1021/Jp1010549 |
0.547 |
|
| 2010 |
Wheeler SE, Houk KN. Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals. Journal of Chemical Theory and Computation. 6: 395-404. PMID 20305831 DOI: 10.1021/Ct900639J |
0.405 |
|
| 2010 |
Wheeler SE, McNeil AJ, Müller P, Swager TM, Houk KN. Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions. Journal of the American Chemical Society. 132: 3304-11. PMID 20158182 DOI: 10.1021/Ja903653J |
0.559 |
|
| 2010 |
Hargis JC, Schaefer HF, Houk KN, Wheeler SE. Noncovalent interactions of a benzo[a]pyrene diol epoxide with DNA base pairs: insight into the formation of adducts of (+)-BaP DE-2 with DNA. The Journal of Physical Chemistry. A. 114: 2038-44. PMID 20063873 DOI: 10.1021/Jp911376P |
0.476 |
|
| 2009 |
Wheeler SE, Houk KN. Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes. Journal of Chemical Theory and Computation. 5: 2301-2312. PMID 20161573 DOI: 10.1021/Ct900344G |
0.502 |
|
| 2009 |
Wheeler SE, Houk KN. Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions. Molecular Physics. 107: 749-760. PMID 20046948 DOI: 10.1080/00268970802537614 |
0.51 |
|
| 2009 |
Wheeler SE, Moran A, Pieniazek SN, Houk KN. Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and alpha-aminoxylation reactions. The Journal of Physical Chemistry. A. 113: 10376-84. PMID 19711937 DOI: 10.1021/Jp9058565 |
0.794 |
|
| 2009 |
Wheeler SE, Schaefer HF. Thermochemistry of the HOSO radical, a key intermediate in fossil fuel combustion. The Journal of Physical Chemistry. A. 113: 6779-88. PMID 19459665 DOI: 10.1021/Jp9029387 |
0.313 |
|
| 2009 |
Wheeler SE, Houk KN. Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents. Journal of the American Chemical Society. 131: 3126-7. PMID 19219986 DOI: 10.1021/Ja809097R |
0.498 |
|
| 2009 |
Wheeler SE, Houk KN, Schleyer Pv, Allen WD. A hierarchy of homodesmotic reactions for thermochemistry. Journal of the American Chemical Society. 131: 2547-60. PMID 19182999 DOI: 10.1021/Ja805843N |
0.649 |
|
| 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 |
0.64 |
|
| 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 |
0.547 |
|
| 2008 |
Wheeler SE, Allen WD, Schaefer HF. On the convergence of Z-averaged perturbation theory. The Journal of Chemical Physics. 128: 074107. PMID 18298140 DOI: 10.1063/1.2828523 |
0.569 |
|
| 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 |
0.55 |
|
| 2008 |
Ess D, Wheeler S, Iafe R, Xu L, Çelebi-Ölçüm N, Houk K. Bifurkationen auf den Potentialenergiehyperflächen organischer Reaktionen Angewandte Chemie. 120: 7704-7713. DOI: 10.1002/Ange.200800918 |
0.587 |
|
| 2007 |
Belau L, Wheeler SE, Ticknor BW, Ahmed M, Leone SR, Allen WD, Schaefer HF, Duncan MA. Ionization thresholds of small carbon clusters: tunable VUV experiments and theory. Journal of the American Chemical Society. 129: 10229-43. PMID 17655303 DOI: 10.1021/Ja072526Q |
0.525 |
|
| 2007 |
Lind MC, Richardson NA, Wheeler SE, Schaefer HF. Hydrogen-abstracted adenine-thymine radicals with interesting transferable properties. The Journal of Physical Chemistry. B. 111: 5525-30. PMID 17458994 DOI: 10.1021/Jp0714926 |
0.305 |
|
| 2007 |
Wheeler SE, Robertson KA, Allen WD, Schaefer HF, Bomble YJ, Stanton JF. Thermochemistry of key soot formation intermediates: C3H3 isomers. The Journal of Physical Chemistry. A. 111: 3819-30. PMID 17402717 DOI: 10.1021/Jp0684630 |
0.535 |
|
| 2006 |
Lind MC, Bera PP, Richardson NA, Wheeler SE, Schaefer HF. The deprotonated guanine-cytosine base pair. Proceedings of the National Academy of Sciences of the United States of America. 103: 7554-9. PMID 16684882 DOI: 10.1073/Pnas.0600654103 |
0.318 |
|
| 2006 |
Wheeler SE, Yamaguchi Y, Schaefer HF. Protonated carbonyl sulfide: prospects for the spectroscopic observation of the elusive HSCO+ isomer. The Journal of Chemical Physics. 124: 044322. PMID 16460177 DOI: 10.1063/1.2150819 |
0.336 |
|
| 2005 |
Lord RL, Wheeler SE, Schaefer HF. The pentacyanocyclopentadienyl system: structures and energetics. The Journal of Physical Chemistry. A. 109: 10084-91. PMID 16838928 DOI: 10.1021/Jp051629X |
0.324 |
|
| 2005 |
Sergeev AV, Goodson DZ, Wheeler SE, Allen WD. On the nature of the Møller-Plesset critical point. The Journal of Chemical Physics. 123: 64105. PMID 16122298 DOI: 10.1063/1.1991854 |
0.553 |
|
| 2005 |
Kim S, Wheeler SE, Deyonker NJ, Schaefer HF. The extremely flat torsional potential energy surface of oxalyl chloride. The Journal of Chemical Physics. 122: 234313. PMID 16008447 DOI: 10.1063/1.1926271 |
0.636 |
|
| 2004 |
Wheeler SE, Allen WD, Schaefer HF. Thermochemistry of disputed soot formation intermediates C4H3 and C4H5. The Journal of Chemical Physics. 121: 8800-13. PMID 15527344 DOI: 10.1063/1.1787496 |
0.543 |
|
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