Multilayer formulation of the multiconfiguration time-dependent Hartree theory H Wang, M Thoss The Journal of chemical physics 119 (3), 1289-1299, 2003 | 915 | 2003 |
Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems H Wang, X Sun, WH Miller The Journal of Chemical Physics 108 (23), 9726-9736, 1998 | 504 | 1998 |
A general chemical dynamics computer program WL Hase, RJ Duchovic, X Hu, A Komornicki, KF Lim, D Lu, GH Peslherbe, ... Quantum Chem. Program Exch. Bull 16, 671, 1996 | 443 | 1996 |
Semiclassical theory of electronically nonadiabatic dynamics: Results of a linearized approximation to the initial value representation X Sun, H Wang, WH Miller The Journal of chemical physics 109 (17), 7064-7074, 1998 | 439 | 1998 |
Monte Carlo sampling for classical trajectory simulations GH Peslherbe, H Wang, WL Hase Advances in Chemical Physics: Monte Carlo Methods in Chemical Physics 105 …, 1999 | 339 | 1999 |
Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density M Thoss, H Wang, WH Miller The Journal of Chemical Physics 115 (7), 2991-3005, 2001 | 310 | 2001 |
Nuclear condensates of the Polycomb protein chromobox 2 (CBX2) assemble through phase separation R Tatavosian, S Kent, K Brown, T Yao, HN Duc, TN Huynh, CY Zhen, ... Journal of Biological Chemistry 294 (5), 1451-1463, 2019 | 285 | 2019 |
Multilayer multiconfiguration time-dependent Hartree theory H Wang The Journal of Physical Chemistry A 119 (29), 7951-7965, 2015 | 216 | 2015 |
Thermodynamics of hydrogen atom transfer to a high-valent iron imido complex I Nieto, F Ding, RP Bontchev, H Wang, JM Smith Journal of the American Chemical Society 130 (9), 2716-2717, 2008 | 209 | 2008 |
Systematic convergence in the dynamical hybrid approach for complex systems: A numerically exact methodology H Wang, M Thoss, WH Miller The Journal of Chemical Physics 115 (7), 2979-2990, 2001 | 207 | 2001 |
Semiclassical study of electronically nonadiabatic dynamics in the condensed-phase: Spin-boson problem with Debye spectral density H Wang, X Song, D Chandler, WH Miller The Journal of chemical physics 110 (10), 4828-4840, 1999 | 207 | 1999 |
Numerically exact quantum dynamics for indistinguishable particles: The multilayer multiconfiguration time-dependent Hartree theory in second quantization representation H Wang, M Thoss The Journal of chemical physics 131 (2), 2009 | 202 | 2009 |
Quantum Dynamics of Photoinduced Electron-Transfer Reactions in Dye− Semiconductor Systems: First-Principles Description and Application to Coumarin 343− TiO2 I Kondov, M Čížek, C Benesch, H Wang, M Thoss The Journal of Physical Chemistry C 111 (32), 11970-11981, 2007 | 195 | 2007 |
Semiclassical description of molecular dynamics based on initial-value representation methods M Thoss, H Wang Annu. Rev. Phys. Chem. 55 (1), 299-332, 2004 | 190 | 2004 |
Generalized forward–backward initial value representation for the calculation of correlation functions in complex systems M Thoss, H Wang, WH Miller The Journal of Chemical Physics 114 (21), 9220-9235, 2001 | 181 | 2001 |
Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory D Egorova, M Thoss, W Domcke, H Wang The Journal of chemical physics 119 (5), 2761-2773, 2003 | 175 | 2003 |
From coherent motion to localization: dynamics of the spin-boson model at zero temperature H Wang, M Thoss New Journal of Physics 10 (11), 115005, 2008 | 161 | 2008 |
On the semiclassical description of quantum coherence in thermal rate constants X Sun, H Wang, WH Miller The Journal of chemical physics 109 (11), 4190-4200, 1998 | 160 | 1998 |
Formation of a cobalt (III) imido from a cobalt (II) amido complex. Evidence for proton-coupled electron transfer RE Cowley, RP Bontchev, J Sorrell, O Sarracino, Y Feng, H Wang, ... Journal of the American Chemical Society 129 (9), 2424-2425, 2007 | 155 | 2007 |
Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems H Wang, M Thoss, WH Miller The Journal of Chemical Physics 112 (1), 47-55, 2000 | 153 | 2000 |