| POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007 | 346 | 2007 |
| Statistical thermodynamics of bond torsional modes YY Chuang, DG Truhlar The Journal of Chemical Physics 112 (3), 1221-1228, 2000 | 332 | 2000 |
| Mapped interpolation scheme for single-point energy corrections in reaction rate calculations and a critical evaluation of dual-level reaction path dynamics methods YY Chuang, JC Corchado, DG Truhlar The Journal of Physical Chemistry A 103 (8), 1140-1149, 1999 | 302 | 1999 |
| POLYRATE-version 2008 J Zheng http://comp. chem. umn. edu/polyrate/, 2008 | 280 | 2008 |
| Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010 | 179 | 2010 |
| Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017 | 176 | 2017 |
| Interpolated variational transition-state theory by mapping JC Corchado, EL Coitino, YY Chuang, PL Fast, DG Truhlar The Journal of Physical Chemistry A 102 (14), 2424-2438, 1998 | 167 | 1998 |
| Direct dynamics for free radical kinetics in solution: Solvent effect on the rate constant for the reaction of methanol with atomic hydrogen YY Chuang, ML Radhakrishnan, PL Fast, CJ Cramer, DG Truhlar The Journal of Physical Chemistry A 103 (25), 4893-4909, 1999 | 147 | 1999 |
| Polyrate-version 8.2 YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ... University of Minnesota, Minneapolis, 1999 | 146* | 1999 |
| Reaction-path dynamics in redundant internal coordinates YY Chuang, DG Truhlar The Journal of Physical Chemistry A 102 (1), 242-247, 1998 | 146 | 1998 |
| Dual-Level Direct Dynamics Calculations of the Reaction Rates for a Jahn−Teller Reaction: Hydrogen Abstraction from CH4 or CD4 by O(3P) JC Corchado, J Espinosa-García, O Roberto-Neto, YY Chuang, ... The Journal of Physical Chemistry A 102 (25), 4899-4910, 1998 | 128 | 1998 |
| Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, 2010 | 122 | 2010 |
| Improved dual-level direct dynamics method for reaction rate calculations with inclusion of multidimensional tunneling effects and validation for the reaction of H with trans-N2H2 YY Chuang, DG Truhlar The Journal of Physical Chemistry A 101 (20), 3808-3814, 1997 | 119 | 1997 |
| POLYRATE, version 7.0 R Steckler, YY Chuang, EL Coitino, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 1997 | 113 | 1997 |
| How should we calculate transition state geometries for radical reactions? The effect of spin contamination on the prediction of geometries for open-shell saddle points YY Chuang, EL Coitiño, DG Truhlar The Journal of Physical Chemistry A 104 (3), 446-450, 2000 | 107 | 2000 |
| Gaussrate 17 J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ... University of Minnesota: Minneapolis, MN, 2017 | 104 | 2017 |
| Characteristics of triphenylamine-based dyes with multiple acceptors in application of dye-sensitized solar cells CH Yang, HL Chen, YY Chuang, CG Wu, CP Chen, SH Liao, TL Wang Journal of Power Sources 188 (2), 627-634, 2009 | 96 | 2009 |
| The interface of electronic structure and dynamics for reactions in solution YY Chuang, CJ Cramer, DG Truhlar International journal of quantum chemistry 70 (4‐5), 887-896, 1998 | 91 | 1998 |
| Optimization of multiple electron donor and acceptor in carbazole-triphenylamine-based molecules for application of dye-sensitized solar cells CH Yang, SH Liao, YK Sun, YY Chuang, TL Wang, YT Shieh, WC Lin The Journal of Physical Chemistry C 114 (49), 21786-21794, 2010 | 82 | 2010 |
| Gaussrate J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitiño, BA Ellingson, ... University of Minnesota, 2010 | 78 | 2010 |
Donald TruhlarUniversity of MinnesotaAdresă de e-mail confirmată pe umn.edu
