A hierarchy of homodesmotic reactions for thermochemistry SE Wheeler, KN Houk, PR Schleyer, WD Allen Journal of the American Chemical Society 131 (7), 2547-2560, 2009 | 579 | 2009 |
Understanding substituent effects in noncovalent interactions involving aromatic rings SE Wheeler Accounts of chemical research 46 (4), 1029-1038, 2013 | 539 | 2013 |
Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene SE Wheeler, KN Houk Journal of the American Chemical Society 130 (33), 10854-10855, 2008 | 532 | 2008 |
Local nature of substituent effects in stacking interactions SE Wheeler Journal of the American Chemical Society 133 (26), 10262-10274, 2011 | 458 | 2011 |
Integration grid errors for meta-GGA-predicted reaction energies: Origin of grid errors for the M06 suite of functionals SE Wheeler, KN Houk Journal of Chemical Theory and Computation 6 (2), 395-404, 2010 | 392 | 2010 |
Bifurcations on potential energy surfaces of organic reactions DH Ess, SE Wheeler, RG Iafe, L Xu, N Çelebi‐Ölçüm, KN Houk Angewandte Chemie International Edition 47 (40), 7592-7601, 2008 | 387 | 2008 |
Toward a more complete understanding of noncovalent interactions involving aromatic rings SE Wheeler, JWG Bloom The journal of physical chemistry A 118 (32), 6133-6147, 2014 | 352 | 2014 |
Noncovalent interactions in organocatalysis and the prospect of computational catalyst design SE Wheeler, TJ Seguin, Y Guan, AC Doney Accounts of Chemical Research 49 (5), 1061-1069, 2016 | 346 | 2016 |
Chiral phosphoric acid catalysis: from numbers to insights R Maji, SC Mallojjala, SE Wheeler Chemical Society Reviews 47 (4), 1142-1158, 2018 | 271 | 2018 |
Through-space effects of substituents dominate molecular electrostatic potentials of substituted arenes SE Wheeler, KN Houk Journal of chemical theory and computation 5 (9), 2301-2312, 2009 | 233 | 2009 |
Taking the aromaticity out of aromatic interactions JWG Bloom, SE Wheeler Angewandte Chemie International Edition 34 (50), 7847-7849, 2011 | 223 | 2011 |
Substituent effects in cation/π interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents SE Wheeler, KN Houk Journal of the American Chemical Society 131 (9), 3126-3127, 2009 | 223 | 2009 |
Probing substituent effects in aryl− aryl interactions using stereoselective Diels− Alder cycloadditions SE Wheeler, AJ McNeil, P Müller, TM Swager, KN Houk Journal of the American Chemical Society 132 (10), 3304-3311, 2010 | 207 | 2010 |
Substituent effects on non‐covalent interactions with aromatic rings: Insights from computational chemistry RK Raju, JWG Bloom, Y An, SE Wheeler ChemPhysChem 12 (17), 3116-3130, 2011 | 165 | 2011 |
Are anion/π interactions actually a case of simple charge− dipole interactions? SE Wheeler, KN Houk The Journal of Physical Chemistry A 114 (33), 8658-8664, 2010 | 161 | 2010 |
Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and α-aminoxylation reactions SE Wheeler, A Moran, SN Pieniazek, KN Houk The Journal of Physical Chemistry A 113 (38), 10376-10384, 2009 | 144 | 2009 |
AARON: an automated reaction optimizer for new catalysts Y Guan, VM Ingman, BJ Rooks, SE Wheeler Journal of chemical theory and computation 14 (10), 5249-5261, 2018 | 137 | 2018 |
Ionization thresholds of small carbon clusters: tunable VUV experiments and theory L Belau, SE Wheeler, BW Ticknor, M Ahmed, SR Leone, WD Allen, ... Journal of the American Chemical Society 129 (33), 10229-10243, 2007 | 118 | 2007 |
Physical nature of substituent effects in XH/π interactions JWG Bloom, RK Raju, SE Wheeler Journal of chemical theory and computation 8 (9), 3167-3174, 2012 | 106 | 2012 |
Origin of substituent effects in edge-to-face aryl–aryl interactions SE Wheeler, KN Houk Molecular physics 107 (8-12), 749-760, 2009 | 101 | 2009 |