| Polyatomic molecular potential energy surfaces by interpolation in local internal coordinates KC Thompson, MJT Jordan, MA Collins The Journal of chemical physics 108 (20), 8302-8316, 1998 | 292 | 1998 |
| Convergence of molecular potential energy surfaces by interpolation: Application to the OH+ H2→ H2O+ H reaction MJT Jordan, KC Thompson, MA Collins The Journal of chemical physics 102 (14), 5647-5657, 1995 | 251 | 1995 |
| Semiclassical influence functionals for quantum systems in anharmonic environments N Makri, K Thompson Chemical physics letters 291 (1), 101-109, 1998 | 240 | 1998 |
| Influence functionals with semiclassical propagators in combined forward–backward time K Thompson, N Makri The Journal of chemical physics 110 (3), 1343-1353, 1999 | 194 | 1999 |
| Molecular potential-energy surfaces by interpolation: Further refinements KC Thompson, MA Collins Journal of the Chemical Society, Faraday Transactions 93 (5), 871-878, 1997 | 147 | 1997 |
| Rigorous forward-backward semiclassical formulation of many-body dynamics K Thompson, N Makri Physical Review E 59 (5), R4729, 1999 | 125 | 1999 |
| The utility of higher order derivatives in constructing molecular potential energy surfaces by interpolation MJT Jordan, KC Thompson, MA Collins The Journal of chemical physics 103 (22), 9669-9675, 1995 | 117 | 1995 |
| Molecular potential energy surfaces by interpolation in Cartesian coordinates KC Thompson, MJT Jordan, MA Collins The Journal of chemical physics 108 (2), 564-578, 1998 | 101 | 1998 |
| CH5+: Chemistry's chameleon unmasked KC Thompson, DL Crittenden, MJT Jordan Journal of the American Chemical Society 127 (13), 4954-4958, 2005 | 82 | 2005 |
| Geodesic interpolation for reaction pathways X Zhu, KC Thompson, TJ Martínez The Journal of Chemical Physics 150 (16), 2019 | 80 | 2019 |
| Supercollision events in weak collisional energy transfer of highly excited species DL Clarke, KC Thompson, RG Gilbert Chemical physics letters 182 (3-4), 357-362, 1991 | 79 | 1991 |
| On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1, 2-ethanediol DL Crittenden, KC Thompson, MJT Jordan The Journal of Physical Chemistry A 109 (12), 2971-2977, 2005 | 56 | 2005 |
| The non-adiabatic nanoreactor: towards the automated discovery of photochemistry E Pieri, D Lahana, AM Chang, CR Aldaz, KC Thompson, TJ Martínez Chemical science 12 (21), 7294-7307, 2021 | 47 | 2021 |
| Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions K Thompson, TJ Martı́nez The Journal of chemical physics 110 (3), 1376-1382, 1999 | 47 | 1999 |
| A classical trajectory study of the photodissociation of T1 acetaldehyde: The transition from impulsive to statistical dynamics KC Thompson, DL Crittenden, SH Kable, MJT Jordan The Journal of chemical physics 124 (4), 2006 | 44 | 2006 |
| ChemPix: Automated Recognition of Hand-drawn Hydrocarbon Structures Using Deep Learning H Weir, K Thompson, B Choi, A Woodward, A Braun, TJ Martínez Chemical Science, 2021 | 41 | 2021 |
| Large-Scale Functional Group Symmetry-Adapted Perturbation Theory on Graphical Processing Units RM Parrish, KC Thompson, TJ Martínez Journal of chemical theory and computation 14 (3), 1737-1753, 2018 | 29 | 2018 |
| TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations S Seritan, K Thompson, TJ Martínez Journal of Chemical Information and Modeling 60 (4), 2126-2137, 2020 | 27 | 2020 |
| First principles reaction discovery: from the Schrodinger equation to experimental prediction for methane pyrolysis R Xu, J Meisner, AM Chang, KC Thompson, TJ Martínez Chemical Science 14 (27), 7447-7464, 2023 | 24 | 2023 |
| Efficiency considerations in the construction of interpolated potential energy surfaces for the calculation of quantum observables by diffusion Monte Carlo DL Crittenden, KC Thompson, M Chebib, MJT Jordan The Journal of chemical physics 121 (20), 9844-9854, 2004 | 17 | 2004 |
Todd J MartinezStanford University在 stanford.edu 的电子邮件经过验证
