Steven E. Wheeler, Ph.D. - Publications

Affiliations: 
2010-2016 Department of Chemistry Texas A & M University, College Station, TX, United States 
 2017- Department of Chemistry University of Georgia, Athens, Athens, GA, United States 
 2017-2020 Center for Computational Quantum Chemistry University of Georgia, Athens, Athens, GA, United States 
Area:
computational organic chemistry
Website:
http://wheelergroupresearch.com

93/156 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.7
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  0.632
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  0.779
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  0.806
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  0.754
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  0.645
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  0.75
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  0.766
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  0.457
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  0.599
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  0.765
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  0.594
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  0.808
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  0.687
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  0.452
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  0.475
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  0.314
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  0.497
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  0.634
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
Low-probability matches (unlikely to be authored by this person)
2015 Wheeler SE. Unraveling the origin of substituents effects in π-stacking interactions Noncovalent Forces. 421-442. DOI: 10.1007/978-3-319-14163-3_14  0.299
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  0.294
2006 Kim S, Wheeler SE, Schaefer HF. Microsolvation effects on the electron capturing ability of thymine: thymine-water clusters. The Journal of Chemical Physics. 124: 204310. PMID 16774335 DOI: 10.1063/1.2197828  0.291
2020 Taschner IS, Walker TL, M. SC, Schrage BR, Ziegler CJ, Gao X, Wheeler SE. Topomeric aza/thia cryptands: synthesis and theoretical aspects of in/out isomerism using n-alkyl bridging Organic Chemistry Frontiers. 7: 1164-1176. DOI: 10.1039/D0Qo00123F  0.29
2011 Lan Y, Wheeler SE, Houk KN. Extraordinary difference in reactivity of ozone (OOO) and sulfur dioxide (OSO): A theoretical study Journal of Chemical Theory and Computation. 7: 2104-2111. DOI: 10.1021/ct200293w  0.29
2012 Wodrich MD, Gonthier JF, Corminboeuf C, Wheeler SE. Reply to "comment on 'accurate thermochemistry of hydrocarbon radicals via an extended generalized bond separation reaction scheme'" Journal of Physical Chemistry A. 116: 8794-8796. DOI: 10.1021/Jp3061653  0.29
2015 Popov I, Chen TH, Belyakov S, Daugulis O, Wheeler SE, Miljani? OŠ. macrocycle embrace: encapsulation of fluoroarenes by m-phenylene ethynylene host. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 2750-4. PMID 25491319 DOI: 10.1002/Chem.201406073  0.28
2007 Wheeler SE, Simmonett AC, Schaefer HF. Renner-Teller bending frequencies of the approximately A 2Pi state of OCS+. The Journal of Physical Chemistry. A. 111: 4551-5. PMID 17444622 DOI: 10.1021/Jp0712046  0.278
2012 Bandyopadhyay B, Cheng TC, Wheeler SE, Duncan MA. Vibrational spectroscopy and theory of the protonated benzene dimer and trimer. The Journal of Physical Chemistry. A. 116: 7065-73. PMID 22676649 DOI: 10.1021/Jp304091H  0.278
2007 Wheeler SE, Schleyer PV, Schaefer HF. SASS: a symmetry adapted stochastic search algorithm exploiting site symmetry. The Journal of Chemical Physics. 126: 104104. PMID 17362058 DOI: 10.1063/1.2646940  0.276
2005 Luo Q, Li J, Li QS, Kim S, Wheeler SE, Xie Y, Schaefer HF. Electron affinities of the radicals derived from cytosine. Physical Chemistry Chemical Physics : Pccp. 7: 861-5. PMID 19791373 DOI: 10.1039/B415653F  0.274
2005 Wheeler SE, Schaefer HF. Ionization potentials of small lithium clusters (Lin) and hydrogenated lithium clusters (LinH). The Journal of Chemical Physics. 122: 204328. PMID 15945745 DOI: 10.1063/1.1906207  0.267
2004 Wheeler SE, Sattelmeyer KW, Schleyer PV, Schaefer HF. Binding energies of small lithium clusters (Li(n)) and hydrogenated lithium clusters (Li(n)H). The Journal of Chemical Physics. 120: 4683-9. PMID 15267328 DOI: 10.1063/1.1645242  0.261
2023 Togo T, Tram L, Denton LG, ElHilali-Pollard X, Gu J, Jiang J, Liu C, Zhao Y, Zhao Y, Zheng Y, Zheng Y, Yang J, Fan P, Arkin MR, Härmä H, ... ... Wheeler SE, et al. Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. Journal of Medicinal Chemistry. PMID 37406165 DOI: 10.1021/acs.jmedchem.3c00590  0.26
2006 Zhang X, Li Q, Ingels JB, Simmonett AC, Wheeler SE, Xie Y, King RB, Schaefer HF, Cotton FA. Remarkable electron accepting properties of the simplest benzenoid cyanocarbons: hexacyanobenzene, octacyanonaphthalene and decacyanoanthracene. Chemical Communications (Cambridge, England). 758-60. PMID 16465331 DOI: 10.1039/B515843E  0.249
2021 Daher S, Lee M, Jin X, Teijaro CN, Wheeler SE, Jacobson MA, Buttaro B, Andrade RB. Synthesis, biological evaluation, and computational analysis of biaryl side-chain analogs of solithromycin. Chemmedchem. PMID 34355515 DOI: 10.1002/cmdc.202100435  0.245
2015 Popov I, Chen T, Belyakov S, Daugulis O, Wheeler SE, Miljanić OŠ. Inside Back Cover: Macrocycle Embrace: Encapsulation of Fluoroarenes bym-Phenylene Ethynylene Host (Chem. Eur. J. 7/2015) Chemistry - a European Journal. 21: 3131-3131. DOI: 10.1002/Chem.201590028  0.235
2014 Lee SR, Bloom JWG, Wheeler SE, McNeil AJ. Erratum: Accelerating Ni(II) precatalyst initiation using reactive ligands and its impact on chain-growth polymerizations (Dalton Transactions (2013) 42 (42184222) DOI: 10.1039/C2DT32735J) Dalton Transactions. 43. DOI: 10.1039/C4Dt90119C  0.226
2021 Schaefer AJ, Ingman VM, Wheeler SE. SEQCROW: A ChimeraX bundle to facilitate quantum chemical applications to complex molecular systems. Journal of Computational Chemistry. PMID 34109660 DOI: 10.1002/jcc.26700  0.182
2024 Lv P, Zhu R, Zhang D, Wheeler SE. Mechanism and Enantioselectivity in QUINOX-Catalyzed Asymmetric Allylations of Aromatic Aldehydes: Solvent and Substituent Effects. The Journal of Organic Chemistry. PMID 38625686 DOI: 10.1021/acs.joc.4c00003  0.12
2004 Simmonett AC, Wheeler SE, Schaefer HF. The vinyl radical and fluorinated vinyl radicals, C2H3-nFn (n = 0-3), and corresponding anions: Comparison with the isoelectronic complexes [X⋯YC≡CZ]- Journal of Physical Chemistry A. 108: 1608-1615. DOI: 10.1021/jp031240e  0.09
2013 Thomas SM, Sahu B, Rapireddy S, Bahal R, Wheeler SE, Procopio EM, Kim J, Joyce SC, Contrucci S, Wang Y, Chiosea SI, Lathrop KL, Watkins S, Grandis JR, Armitage BA, et al. Antitumor effects of EGFR antisense guanidine-based peptide nucleic acids in cancer models. Acs Chemical Biology. 8: 345-52. PMID 23113581 DOI: 10.1021/Cb3003946  0.075
2017 Hagemann TL, Powers B, Mazur C, Kim A, Wheeler S, Hung G, Swayze E, Messing A. Antisense suppression of glial fibrillary acidic protein as a treatment for Alexander disease. Annals of Neurology. PMID 29226998 DOI: 10.1002/Ana.25118  0.066
2014 Clark AM, Wheeler SE, Taylor DP, Pillai VC, Young CL, Prantil-Baun R, Nguyen T, Stolz DB, Borenstein JT, Lauffenburger DA, Venkataramanan R, Griffith LG, Wells A. A microphysiological system model of therapy for liver micrometastases. Experimental Biology and Medicine (Maywood, N.J.). 239: 1170-9. PMID 24821820 DOI: 10.1177/1535370214532596  0.065
2013 Wheeler SE, Borenstein JT, Clark AM, Ebrahimkhani MR, Fox IJ, Griffith L, Inman W, Lauffenburger D, Nguyen T, Pillai VC, Prantil-Baun R, Stolz DB, Taylor D, Ulrich T, Venkataramanan R, et al. All-human microphysical model of metastasis therapy. Stem Cell Research & Therapy. 4: S11. PMID 24565274 DOI: 10.1186/Scrt372  0.053
2013 Yang J, Wheeler SE, Velikoff M, Kleaveland KR, LaFemina MJ, Frank JA, Chapman HA, Christensen PJ, Kim KK. Activated alveolar epithelial cells initiate fibrosis through secretion of mesenchymal proteins. The American Journal of Pathology. 183: 1559-70. PMID 24012677 DOI: 10.1016/j.ajpath.2013.07.016  0.051
2002 Curry TE, Wheeler SE. Cellular localization of tissue inhibitors of metalloproteinases in the rat ovary throughout pseudopregnancy. Biology of Reproduction. 67: 1943-51. PMID 12444073 DOI: 10.1095/biolreprod.102.003681  0.05
2015 Liu L, Wheeler SE, Rymer JA, Lower D, Zona J, Peck Palmer OM, Tamama K. Ranitidine interference with standard amphetamine immunoassay. Clinica Chimica Acta; International Journal of Clinical Chemistry. 438: 307-8. PMID 25242739 DOI: 10.1016/j.cca.2014.09.012  0.05
2014 Bloom JWG, Wheeler SE. Benchmark torsional potentials of building blocks for conjugated materials: Bifuran, bithiophene, and biselenophene Journal of Chemical Theory and Computation. 10: 3647-3655. DOI: 10.1021/ct5004725  0.039
2009 Leeman-Neill RJ, Wheeler SE, Singh SV, Thomas SM, Seethala RR, Neill DB, Panahandeh MC, Hahm ER, Joyce SC, Sen M, Cai Q, Freilino ML, Li C, Johnson DE, Grandis JR. Guggulsterone enhances head and neck cancer therapies via inhibition of signal transducer and activator of transcription-3. Carcinogenesis. 30: 1848-56. PMID 19762335 DOI: 10.1093/Carcin/Bgp211  0.038
2022 Wheeler S, Davis D, Basch J, James G, Lehman B, Acord-Vira A. Self-Regulation and Relaxation-Based Interventions for Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166583 DOI: 10.5014/ajot.2022/76S2015  0.038
2017 Wheeler S, Acord-Vira A, Arbesman M, Lieberman D. Occupational Therapy Interventions for Adults With Traumatic Brain Injury. The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 71: 7103395010p1-7103395. PMID 28422643 DOI: 10.5014/ajot.2017.713005  0.037
2022 Wheeler S, Davis D, Basch J, James G, Lehman B, Acord-Vira A. Goal- and Client-Directed Interventions for Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166575 DOI: 10.5014/ajot.2022/76S2013  0.037
2022 Wheeler S, Davis D, Basch J, James G, Lehman B, Acord-Vira A. Physical Activity Interventions for Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166581 DOI: 10.5014/ajot.2022/76S2014  0.036
2022 Acord-Vira A, Davis D, Boyd E, Wheeler S. Relationship Building Interventions for Caregivers of Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166574 DOI: 10.5014/ajot.2022/76S2011  0.034
2022 Acord-Vira A, Davis D, Boyd E, Wheeler S. Health and Well-Being Interventions for Caregivers of Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166578 DOI: 10.5014/ajot.2022/76S2010  0.033
2000 Cohen CB, Wheeler SE, Scott DA, Edwards BS, Lusk P. Prayer as therapy. A challenge to both religious belief and professional ethics. The Anglican Working Group in Bioethics. The Hastings Center Report. 30: 40-7. PMID 10862371  0.033
2011 Chen G, Laane J, Wheeler SE, Zhang Z. Greenhouse gas molecules: A mathematical perspective Notices of the American Mathematical Society. 58: 1421-1434.  0.033
2022 Acord-Vira A, Davis D, Boyd E, Wheeler S. Education and Skill-Building Interventions for Caregivers of Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166577 DOI: 10.5014/ajot.2022/76S2009  0.032
2009 Kim KK, Wei Y, Szekeres C, Kugler MC, Wolters PJ, Hill ML, Frank JA, Brumwell AN, Wheeler SE, Kreidberg JA, Chapman HA. Epithelial cell alpha3beta1 integrin links beta-catenin and Smad signaling to promote myofibroblast formation and pulmonary fibrosis. The Journal of Clinical Investigation. 119: 213-24. PMID 19104148 DOI: 10.1172/JCI36940  0.029
2022 Wheeler S, Davis D, Basch J, James G, Lehman B, Acord-Vira A. Cognitive Behavioral Therapy Interventions for Adults With Traumatic Brain Injury (2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166576 DOI: 10.5014/ajot.2022/76S2016  0.028
1996 Rhodes SL, Wheeler SE. Rural electrification and irrigation in the U.S. high plains Journal of Rural Studies. 12: 311-317. DOI: 10.1016/0743-0167(96)00005-8  0.028
2015 Colaianni DJ, Provident I, DiBartola LM, Wheeler S. A phenomenology of occupation-based hand therapy. Australian Occupational Therapy Journal. 62: 177-86. PMID 25943153 DOI: 10.1111/1440-1630.12192  0.026
2014 Young CL, Wheeler SE, Clark AM, Stolz DB, Wells A, Griffith LG, Lauffenburger D. Elucidating mechanisms of liver metastasis: An all-human microphysiological model to investigate disease progression & therapies Food, Pharmaceutical and Bioengineering Division 2014 - Core Programming Area At the 2014 Aiche Annual Meeting. 1: 367-368.  0.026
2014 Young CL, Wheeler SE, Clark AM, Stolz DB, Wells A, Griffith LG, Lauffenburger D. Elucidating mechanisms of liver metastasis: An all-human microphysiological model to investigate disease progression & therapies Food, Pharmaceutical and Bioengineering Division 2014 - Core Programming Area At the 2014 Aiche Annual Meeting. 1: 367-368.  0.026
2014 Nguyen TV, Kim ES, Coppeta JR, Wheeler SE, Clark AM, Lever AR, Cirit M, Yu J, Spencer AJ, Sinatra FL, Prantil-Baun R, Wells A, Griffith LG, Borenstein JT. Automated reagent delivery, media replenishment, and media sampling platform for open cell culture systems 18th International Conference On Miniaturized Systems For Chemistry and Life Sciences, Microtas 2014. 491-493.  0.026
2022 Wheeler S, Davis D, Basch J, James G, Lehman B, Acord-Vira A. Education and Skills Training Interventions for Adults With Traumatic Brain Injury (TBI) (Dates of Review: 2013-2020). The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 76. PMID 36166582 DOI: 10.5014/ajot.2022/76S2012  0.024
2016 Wheeler S, Acord-Vira A, Davis D. Effectiveness of Interventions to Improve Occupational Performance for People With Psychosocial, Behavioral, and Emotional Impairments After Brain Injury: A Systematic Review. The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 70: 7003180060p1-9. PMID 27089290 DOI: 10.5014/Ajot.115.020677  0.021
1947 WHEELER SE. Present-day chemotherapy of syphilis. The Recorder of the Columbia Medical Society of Richland County, S. C. 11: 9-11. PMID 20265391  0.021
2010 Wheeler SE, Suzuki S, Thomas SM, Sen M, Leeman-Neill RJ, Chiosea SI, Kuan CT, Bigner DD, Gooding WE, Lai SY, Grandis JR. Epidermal growth factor receptor variant III mediates head and neck cancer cell invasion via STAT3 activation. Oncogene. 29: 5135-45. PMID 20622897 DOI: 10.1038/Onc.2009.279  0.021
2012 Quesnelle KM, Wheeler SE, Ratay MK, Grandis JR. Preclinical modeling of EGFR inhibitor resistance in head and neck cancer. Cancer Biology & Therapy. 13: 935-45. PMID 22785204 DOI: 10.4161/Cbt.20846  0.02
2015 Wheeler SE, Egloff AM, Wang L, James CD, Hammerman PS, Grandis JR. Challenges in EGFRvIII detection in head and neck squamous cell carcinoma. Plos One. 10: e0117781. PMID 25658924 DOI: 10.1371/Journal.Pone.0117781  0.018
2014 Wheeler SE, Shi H, Lin F, Dasari S, Bednash J, Thorne S, Watkins S, Joshi R, Thomas SM. Enhancement of head and neck squamous cell carcinoma proliferation, invasion, and metastasis by tumor-associated fibroblasts in preclinical models. Head & Neck. 36: 385-92. PMID 23728942 DOI: 10.1002/Hed.23312  0.016
2012 Wheeler SE, Morariu EM, Bednash JS, Otte CG, Seethala RR, Chiosea SI, Grandis JR. Lyn kinase mediates cell motility and tumor growth in EGFRvIII-expressing head and neck cancer. Clinical Cancer Research : An Official Journal of the American Association For Cancer Research. 18: 2850-60. PMID 22490227 DOI: 10.1158/1078-0432.Ccr-11-2486  0.015
2014 Wheeler SE, Clark AM, Taylor DP, Young CL, Pillai VC, Stolz DB, Venkataramanan R, Lauffenburger D, Griffith L, Wells A. Spontaneous dormancy of metastatic breast cancer cells in an all human liver microphysiologic system. British Journal of Cancer. 111: 2342-50. PMID 25314052 DOI: 10.1038/Bjc.2014.533  0.014
2001 Curry TE, Song L, Wheeler SE. Cellular localization of gelatinases and tissue inhibitors of metalloproteinases during follicular growth, ovulation, and early luteal formation in the rat. Biology of Reproduction. 65: 855-65. PMID 11514351  0.013
2023 Wheeler S, Acord-Vira A. Occupational Therapy Practice Guidelines for Adults With Traumatic Brain Injury. The American Journal of Occupational Therapy : Official Publication of the American Occupational Therapy Association. 77. PMID 37624997 DOI: 10.5014/ajot.2023.077401  0.01
2010 Wheeler DA, Wheeler SE. The significance of political trust in mined land reclamation and reforestation efforts Joint Mining Reclamation Conf. 2010 - 27th Meeting of the Asmr, 12th Pennsylvania Abandoned Mine Reclamation Conf. and 4th Appalachian Regional Reforestation Initiative Mined Land Reforestation Conf.. 2: 1337-1363.  0.01
2004 Jo M, Thomas LE, Wheeler SE, Curry TE. Membrane type 1-matrix metalloproteinase (MMP)-associated MMP-2 activation increases in the rat ovary in response to an ovulatory dose of human chorionic gonadotropin. Biology of Reproduction. 70: 1024-32. PMID 14668206 DOI: 10.1095/biolreprod.103.023499  0.01
2001 Cohen CB, Wheeler SE, Scott DA. Walking a fine line. Physician inquiries into patients' religious and spiritual beliefs. The Hastings Center Report. 31: 29-39. PMID 12974116  0.01
1998 Wheeler SE. Ethical issues at the end of life. The Annual of the Society of Christian Ethics. Society of Christian Ethics (U.S.). 18: 315-25. PMID 12528719  0.01
1998 Wheeler SE, Fitzgerald BP. Prolactin concentrations are not suppressed in mares administered constant exogenous melatonin Journal of Equine Veterinary Science. 18: 44-47.  0.01
1978 Weiss GB, Wheeler SE. Inhibition of 45Ca movements by lowered temperature or lanthanum in rat brain slices. Archives Internationales De Pharmacodynamie Et De ThéRapie. 233: 4-20. PMID 686907  0.01
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