Quantum mechanical force field for water with explicit electronic polarization J Han, MJM Mazack, P Zhang, DG Truhlar, J Gao The Journal of Chemical Physics 139 (5), 2013 | 50 | 2013 |
Polarized molecular orbital model chemistry. 2. The PMO method P Zhang, L Fiedler, HR Leverentz, DG Truhlar, J Gao Journal of chemical theory and computation 7 (4), 857-867, 2011 | 37 | 2011 |
Dipole preserving and polarization consistent charges P Zhang, P Bao, J Gao Journal of computational chemistry 32 (10), 2127-2139, 2011 | 33 | 2011 |
Fragment-based quantum mechanical methods for periodic systems with Ewald summation and mean image charge convention for long-range electrostatic interactions P Zhang, DG Truhlar, J Gao Physical Chemistry Chemical Physics 14 (21), 7821-7829, 2012 | 25 | 2012 |
MOPAC 5.022 mn; Department of Chemistry and Supercomputing Institute JJP Stewart, LJ Fiedler, P Zhang, J Zheng, I Rossi, WP Hu, GC Lynch, ... University of Minnesota: Minneapolis, MN, USA, 2015 | 9 | 2015 |
Supplementary Material for Quantum Mechanical Force Field for Water with Explicit Electronic Polarization J Han, MJM Mazack, P Zhang, DG Truhlar, J Gao | | |
Manual for MOPAC, version 5.022 mn JJP Stewart, L Fiedler, J Zheng, I Rossi, WP Hu, GC Lynch, YP Liu, ... | | |