| 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 | 1188 | 2010 |
| Minimally augmented Karlsruhe basis sets J Zheng, X Xu, DG Truhlar Theoretical Chemistry Accounts 128 (3), 295-305, 2011 | 532 | 2011 |
| 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 | 523 | 2011 |
| 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 | 498 | 2009 |
| POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota: Minneapolis, MN, 2007 | 298 | 2007 |
| 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 | 270 | 2009 |
| Polyrate, version 2010-a J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, 2010 | 257 | 2010 |
| 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 | 239 | 2010 |
| 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 | 231 | 2007 |
| 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 | 216 | 2011 |
| gaussrate, Version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010 | 173 | 2010 |
| Kinetics of hydrogen-transfer isomerizations of butoxyl radicals J Zheng, DG Truhlar Physical Chemistry Chemical Physics 12 (28), 7782-7793, 2010 | 159 | 2010 |
| 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 | 131 | 2011 |
| Multireference Model Chemistries for Thermochemical Kinetics O Tishchenko, J Zheng, DG Truhlar Journal of Chemical Theory and Computation 4 (8), 1208-1219, 2008 | 130 | 2008 |
| 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 | 128 | 2013 |
| 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 | 127 | 2012 |
| < 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 | 115 | 2012 |
| 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 | 115 | 2006 |
| POLYRATE J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, version, 2010 | 113 | 2010 |
| 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 | 104 | 2010 |
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
