Steven E. Wheeler
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Citata da
Anno
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
4202009
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
4162008
Understanding substituent effects in noncovalent interactions involving aromatic rings
SE Wheeler
Accounts of chemical research 46 (4), 1029-1038, 2013
3922013
Local nature of substituent effects in stacking interactions
SE Wheeler
Journal of the American Chemical Society 133 (26), 10262-10274, 2011
3442011
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
3252010
Bifurcations on potential energy surfaces of organic reactions
DH Ess, SE Wheeler, RG Iafe, L Xu, N Celebi‐Oelcuem, KN Houk
Angewandte Chemie International Edition 47 (40), 7592-7601, 2008
2642008
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
2522014
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
1962016
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
1872009
Taking the aromaticity out of aromatic interactions
JWG Bloom, SE Wheeler
Angewandte Chemie International Edition 50 (34), 7847-7849, 2011
1782011
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
1772009
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
1732010
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
1332011
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
1322010
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
1112009
Chiral phosphoric acid catalysis: from numbers to insights
R Maji, SC Mallojjala, SE Wheeler
Chemical Society Reviews 47 (4), 1142-1158, 2018
912018
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
852012
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
822007
Origin of substituent effects in edge-to-face aryl–aryl interactions
SE Wheeler, KN Houk
Molecular physics 107 (8-12), 749-760, 2009
812009
Novel noncovalent interactions in catalysis: a focus on halogen, chalcogen, and anion-π bonding
M Breugst, D von der Heiden, J Schmauck
Synthesis 49 (15), 3224-3236, 2017
722017
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