| Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database PCD Hawkins, AG Skillman, GL Warren, BA Ellingson, MT Stahl Journal of chemical information and modeling 50 (4), 572-584, 2010 | 1556 | 2010 |
| Symmetry numbers and chemical reaction rates A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ... Theoretical Chemistry Accounts 118, 813-826, 2007 | 413 | 2007 |
| Variational transition state theory with multidimensional tunneling A Fernandez-Ramos, BA Ellingson, BC Garrett, DG Truhlar Reviews in computational chemistry 23, 125, 2007 | 310 | 2007 |
| POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007 | 306 | 2007 |
| POLYRATE-version 2008 J Zheng http://comp. chem. umn. edu/polyrate/, 2008 | 285 | 2008 |
| Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010 | 178 | 2010 |
| Statistical thermodynamics of bond torsional modes: Tests of separable, almost-separable, and improved Pitzer–Gwinn approximations BA Ellingson, VA Lynch, SL Mielke, DG Truhlar The Journal of chemical physics 125 (8), 2006 | 151 | 2006 |
| Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017 | 130 | 2017 |
| Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, 2010 | 120 | 2010 |
| Gaussrate, version 8.2 JC Corchado, YY Chunag, EL Coitino, DG Truhlar University of Minnesota: Minneapolis, MN, 1999 | 99 | 1999 |
| Gaussrate J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ... University of Minnesota, 2010 | 77 | 2010 |
| Gaussrate 17 J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ... University of Minnesota, Minneapolis, MN, 2017 | 70 | 2017 |
| Polyrate 2010-a J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, MN, 2010 | 59 | 2010 |
| Reactions of hydrogen atom with hydrogen peroxide BA Ellingson, DP Theis, O Tishchenko, J Zheng, DG Truhlar The Journal of Physical Chemistry A 111 (51), 13554-13566, 2007 | 58 | 2007 |
| Explanation of the Unusual Temperature Dependence of the Atmospherically Important OH + H2S → H2O + HS Reaction and Prediction of the Rate Constant at … BA Ellingson, DG Truhlar Journal of the American Chemical Society 129 (42), 12765-12771, 2007 | 50 | 2007 |
| Reviews in Computational Chemistry A Fernandez-Ramos, BA Ellingson, BC Garrett, DG Truhlar, KB Lipkowitz, ... Reviews in Computational Chemistry, 125, 2007 | 34 | 2007 |
| Multicoefficient Gaussian-3 Calculation of the Rate Constant for the OH + CH4 Reaction and Its 12C/13C Kinetic Isotope Effect with Emphasis on the Effects of … BA Ellingson, J Pu, H Lin, Y Zhao, DG Truhlar The Journal of Physical Chemistry A 111 (45), 11706-11717, 2007 | 33 | 2007 |
| Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK BA Ellingson, MT Geballe, S Wlodek, CI Bayly, AG Skillman, A Nicholls Journal of computer-aided molecular design 28, 289-298, 2014 | 24 | 2014 |
| Temperature dependence of carbon-13 kinetic isotope effects of importance to global climate change H Lin, Y Zhao, BA Ellingson, J Pu, DG Truhlar Journal of the American Chemical Society 127 (9), 2830-2831, 2005 | 24 | 2005 |
| MULTILEVEL-version 4.2 Y Zhao, JM Rodgers, BJ Lynch, N González-García, PL Fast, J Pu, ... University of Minnesota: Minneapolis, MN, 2006 | 16 | 2006 |
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
