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Jing Kong
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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
30212015
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
29072006
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
6852000
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
6432021
Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
RP Steele, RA DiStasio, Y Shao, J Kong, M Head-Gordon
The Journal of chemical physics 125 (7), 2006
1132006
Effects of lead and nitric oxide on photosynthesis, antioxidative ability, and mineral element content of perennial ryegrass
XY Bai, YJ Dong, QH Wang, LL Xu, J Kong, S Liu
Biologia plantarum 59, 163-170, 2015
1052015
Lennard–Jones parameters for the combined QM/MM method using the B3LYP/6‐31G*/AMBER potential
M Freindorf, Y Shao, TR Furlani, J Kong
Journal of computational chemistry 26 (12), 1270-1278, 2005
1022005
Effects of exogenous nitric oxide on growth of cotton seedlings under NaCl stress
YJ Dong, SS Jinc, S Liu, LL Xu, J Kong
Journal of soil science and plant nutrition 14 (1), 1-13, 2014
992014
Phys. Chem. Chem. Phys.
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Phys. Chem. Chem. Phys 8, 3172, 2006
832006
Advances in methods and algorithms in a modern quantum chemistry program package
JM Herbert, C Yeh Lin, T Van Voorhis, S Hung Chien, A Sodt, RP Steele, ...
Phys. Chem. Chem. Phys 8, 3172, 2006
822006
Effects of exogenous nitric oxide on photosynthesis, antioxidative ability, and mineral element contents of perennial ryegrass under copper stress
Y Dong, L Xu, Q Wang, Z Fan, J Kong, X Bai
Journal of plant interactions 9 (1), 402-411, 2014
762014
Density functional model for nondynamic and strong correlation
J Kong, E Proynov
Journal of Chemical Theory and Computation 12 (1), 133-143, 2016
742016
Efficient computation of the dispersion interaction with density-functional theory
J Kong, Z Gan, E Proynov, M Freindorf, TR Furlani
Physical Review A 79 (4), 042510, 2009
732009
Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit
HL Woodcock, W Zheng, A Ghysels, Y Shao, J Kong, BR Brooks
The Journal of chemical physics 129 (21), 2008
682008
A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation
F Liu, Z Gan, Y Shao, CP Hsu, A Dreuw, M Head-Gordon, BT Miller, ...
Molecular Physics 108 (19-20), 2791-2800, 2010
652010
Water Mediated Ligand Functional Group Cooperativity: The Contribution of a Methyl Group to Binding Affinity is Enhanced by a COO Group Through Changes in …
NN Nasief, H Tan, J Kong, D Hangauer
Journal of medicinal chemistry 55 (19), 8283-8302, 2012
492012
Q-Chem, version 3.0. Q-chem
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Inc.: Pittsburgh, PA, 2007
492007
Comparison of the performance of exact-exchange-based density functional methods
F Liu, E Proynov, JG Yu, TR Furlani, J Kong
The Journal of Chemical Physics 137 (11), 114104-114104-14, 2012
482012
Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
A Biela, M Khayat, H Tan, J Kong, A Heine, D Hangauer, G Klebe
Journal of molecular biology 418 (5), 350-366, 2012
462012
Combined QM/MM study of thyroid and steroid hormone analogue interactions with αvβ3 integrin
M Freindorf, TR Furlani, J Kong, V Cody, FB Davis, PJ Davis
Journal of Biomedicine and Biotechnology 2012, 2012
422012
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Articles 1–20