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Jing Kong
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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
27622006
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
26382015
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
6682000
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), 084801, 2021
2382021
Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
RP Steele, RA DiStasio Jr, Y Shao, J Kong, M Head-Gordon
The Journal of chemical physics 125 (7), 074108, 2006
1122006
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
982005
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 (1), 163-170, 2015
912015
Phys. Chem. Chem. Phys.
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
902006
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
882006
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
832014
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
712009
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
682014
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
642010
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), 12B603, 2008
642008
Density functional model for nondynamic and strong correlation
J Kong, E Proynov
Journal of Chemical Theory and Computation 12 (1), 133-143, 2016
622016
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
452012
Q-Chem, version 3.0. Q-chem
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Inc.: Pittsburgh, PA, 2007
452007
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
442012
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
422012
Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method
E Proynov, Y Shao, J Kong
Chemical physics letters 493 (4-6), 381-385, 2010
412010
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