Jingjing Zheng
Jingjing Zheng
Senior Scientist (Gaussian, Inc.)
Zweryfikowany adres z gaussian.com
Tytuł
Cytowane przez
Cytowane przez
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Computational thermochemistry: scale factor databases and scale factors for vibrational frequencies obtained from electronic model chemistries
IM Alecu, J Zheng, Y Zhao, DG Truhlar
Journal of Chemical Theory and Computation 6 (9), 2872-2887, 2010
10002010
The DBH24/08 database and its use to assess electronic structure model chemistries for chemical reaction barrier heights
J Zheng, Y Zhao, DG Truhlar
Journal of Chemical Theory and Computation 5 (4), 808-821, 2009
4662009
Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions
E Papajak, J Zheng, X Xu, HR Leverentz, DG Truhlar
Journal of Chemical Theory and Computation 7 (10), 3027-3034, 2011
4172011
Minimally augmented Karlsruhe basis sets
J Zheng, X Xu, DG Truhlar
Theoretical Chemistry Accounts 128 (3), 295-305, 2011
3832011
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota: Minneapolis, MN, 2007
2872007
Polyrate, version 2010-a
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, 2010
2452010
Efficient Diffuse Basis Sets: cc-pV x Z+ and maug-cc-pV x Z
E Papajak, HR Leverentz, J Zheng, DG Truhlar
Journal of Chemical Theory and Computation 5 (5), 1197-1202, 2009
2442009
Representative benchmark suites for barrier heights of diverse reaction types and assessment of electronic structure methods for thermochemical kinetics
J Zheng, Y Zhao, DG Truhlar
Journal of Chemical Theory and Computation 3 (2), 569-582, 2007
2232007
Tests of the RPBE, revPBE, τ-HCTHhyb, ωB97X-D, and MOHLYP density functional approximations and 29 others against representative databases for diverse bond energies and barrier …
K Yang, J Zheng, Y Zhao, DG Truhlar
The Journal of chemical physics 132, 164117, 2010
2222010
Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation
J Zheng, T Yu, E Papajak, IM Alecu, SL Mielke, DG Truhlar
Physical Chemistry Chemical Physics 13 (23), 10885-10907, 2011
1842011
gaussrate, Version 2009-A
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota: Minneapolis, MN, 2010
1582010
Kinetics of hydrogen-transfer isomerizations of butoxyl radicals
J Zheng, DG Truhlar
Physical Chemistry Chemical Physics 12 (28), 7782-7793, 2010
1522010
Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol+ OH reactions
J Zheng, DG Truhlar
Faraday discussions 157, 59-88, 2012
1142012
QM/MM study of mechanisms for compound I formation in the catalytic cycle of cytochrome P450cam
J Zheng, D Wang, W Thiel, S Shaik
Journal of the American Chemical Society 128 (40), 13204-13215, 2006
1132006
Multi-structural variational transition state theory. Kinetics of the 1, 4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity
T Yu, J Zheng, DG Truhlar
Chemical Science 2 (11), 2199-2213, 2011
1112011
Multireference Model Chemistries for Thermochemical Kinetics
O Tishchenko, J Zheng, DG Truhlar
Journal of Chemical Theory and Computation 4 (8), 1208-1219, 2008
1112008
Quantum Thermochemistry: Multistructural Method with Torsional Anharmonicity Based on a Coupled Torsional Potential
J Zheng, DG Truhlar
Journal of Chemical Theory and Computation 9 (3), 1356-1367, 2013
1082013
POLYRATE
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, version, 2010
1022010
Density functional approximations for charge transfer excitations with intermediate spatial overlap
R Li, J Zheng, DG Truhlar
Phys. Chem. Chem. Phys. 12 (39), 12697-12701, 2010
962010
< i> MSTor</i>: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity
J Zheng, SL Mielke, KL Clarkson, DG Truhlar
Computer Physics Communications 183 (8), 1803-1812, 2012
902012
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