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David Sherrill
David Sherrill
Regents' Professor, Chemistry and Computational Science, Georgia Tech
Verified email at gatech.edu - Homepage
Title
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Cited by
Year
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
27292006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
24632015
Estimates of the ab initio limit for π− π interactions: The benzene dimer
MO Sinnokrot, EF Valeev, CD Sherrill
Journal of the American Chemical Society 124 (36), 10887-10893, 2002
14212002
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
9162017
Psi4: an open‐source ab initio electronic structure program
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012
9152012
High-accuracy quantum mechanical studies of π− π interactions in benzene dimers
MO Sinnokrot, CD Sherrill
The Journal of Physical Chemistry A 110 (37), 10656-10668, 2006
7962006
Highly accurate coupled cluster potential energy curves for the benzene dimer: sandwich, T-shaped, and parallel-displaced configurations
MO Sinnokrot, CD Sherrill
The Journal of Physical Chemistry A 108 (46), 10200-10207, 2004
7282004
Substituent effects in π− π interactions: sandwich and T-shaped configurations
MO Sinnokrot, CD Sherrill
Journal of the American Chemical Society 126 (24), 7690-7697, 2004
6872004
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6632000
Assessment of the performance of the M05− 2X and M06− 2X exchange-correlation functionals for noncovalent interactions in biomolecules
EG Hohenstein, ST Chill, CD Sherrill
Journal of Chemical Theory and Computation 4 (12), 1996-2000, 2008
6602008
Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
LA Burns, ÁV Mayagoitia, BG Sumpter, CD Sherrill
The Journal of Chemical Physics 134 (8), 084107, 2011
6142011
The configuration interaction method: Advances in highly correlated approaches
CD Sherrill, HF Schaefer III
Advances in quantum chemistry 34, 143-269, 1999
5521999
Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies
TM Parker, LA Burns, RM Parrish, AG Ryno, CD Sherrill
The Journal of chemical physics 140 (9), 094106, 2014
4832014
An assessment of theoretical methods for nonbonded interactions: Comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the …
CD Sherrill, T Takatani, EG Hohenstein
The Journal of Physical Chemistry A 113 (38), 10146-10159, 2009
4132009
Assessment of the performance of DFT and DFT-D methods for describing distance dependence of hydrogen-bonded interactions
KS Thanthiriwatte, EG Hohenstein, LA Burns, CD Sherrill
Journal of Chemical Theory and Computation 7 (1), 88-96, 2011
4022011
Wavefunction methods for noncovalent interactions
EG Hohenstein, CD Sherrill
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 304-326, 2012
3632012
Basis set consistent revision of the S22 test set of noncovalent interaction energies
T Takatani, EG Hohenstein, M Malagoli, MS Marshall, CD Sherrill
The Journal of chemical physics 132 (14), 144104, 2010
3512010
Unexpected substituent effects in face-to-face π-stacking interactions
MO Sinnokrot, CD Sherrill
The Journal of Physical Chemistry A 107 (41), 8377-8379, 2003
3372003
Effects of heteroatoms on aromatic π− π interactions: benzene− pyridine and pyridine dimer
EG Hohenstein, CD Sherrill
The Journal of Physical Chemistry A 113 (5), 878-886, 2009
3182009
Effects of heteroatoms on aromatic π− π interactions: benzene− pyridine and pyridine dimer
EG Hohenstein, CD Sherrill
The Journal of Physical Chemistry A 113 (5), 878-886, 2009
3182009
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