受强制性开放获取政策约束的文章 - Jian Liu了解详情
无法在其他位置公开访问的文章：1 篇
Phase Space Mapping Theory for Nonadiabatic Quantum Molecular Dynamics
B Wu, X He, J Liu
Time-Dependent Density Functional Theory, 405-430, 2022
强制性开放获取政策： 国家自然科学基金委员会
可在其他位置公开访问的文章：32 篇
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of chemical information and modeling 63 (20), 6183-6191, 2023
强制性开放获取政策： US National Science Foundation, US National Institutes of Health, 国家自然科 …
Unified efficient thermostat scheme for the canonical ensemble with holonomic or isokinetic constraints via molecular dynamics
Z Zhang, X Liu, K Yan, M Tuckerman, J Liu
Journal of Physical Chemistry A 123 (28), 6056-6079, 2019
强制性开放获取政策： US National Science Foundation, 国家自然科学基金委员会
A simple and accurate algorithm for path integral molecular dynamics
J Liu, D Li, X Liu
Journal of Chemical Physics 145, 024103, 2016
强制性开放获取政策： US Department of Energy, 国家自然科学基金委员会
A unified theoretical framework for mapping models for the multi-state Hamiltonian
J Liu
Journal of Chemical Physics 145, 204105, 2016
强制性开放获取政策： 国家自然科学基金委员会
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base
L Liu, J Liu, TJ Martínez
The Journal of Physical Chemistry B 120 (8), 1940–1949, 2015
强制性开放获取政策： US Department of Energy
Recent advances in the linearized semiclassical initial value representation/classical W igner model for the thermal correlation function
J Liu
International Journal of Quantum Chemistry 115 (11), 657-670, 2015
强制性开放获取政策： US Department of Energy, 国家自然科学基金委员会
A new perspective for nonadiabatic dynamics with phase space mapping models
X He, J Liu
Journal of Chemical Physics 151, 024105, 2019
强制性开放获取政策： 国家自然科学基金委员会
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
Z Zhang, X Liu, Z Chen, H Zheng, K Yan, J Liu
Journal of Chemical Physics 147, 034109, 2017
强制性开放获取政策： 国家自然科学基金委员会
Path integral Liouville dynamics for thermal equilibrium systems
J Liu
The Journal of chemical physics 140 (22), 2014
强制性开放获取政策： 国家自然科学基金委员会
Unified formulation of phase space mapping approaches for nonadiabatic quantum dynamics
J Liu, X He, B Wu
Accounts of chemical research 54 (23), 4215-4228, 2021
强制性开放获取政策： 国家自然科学基金委员会
Critical role of quantum dynamical effects in the Raman spectroscopy of liquid water
X Liu, J Liu
Molecular Physics, 2018
强制性开放获取政策： US Department of Energy, 国家自然科学基金委员会
Mechanistic study of oxygen reduction at liquid/liquid interfaces by hybrid ultramicroelectrodes and mass spectrometry
C Gu, X Nie, J Jiang, Z Chen, Y Dong, X Zhang, J Liu, Z Yu, Z Zhu, J Liu, ...
Journal of the American Chemical Society 141 (33), 13212-13221, 2019
强制性开放获取政策： 国家自然科学基金委员会
Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane
J Liu, Z Zhang
The Journal of Chemical Physics 144 (3), 2016
强制性开放获取政策： US Department of Energy, 中国科学院, 国家自然科学基金委员会
Negative zero-point-energy parameter in the Meyer–Miller mapping model for nonadiabatic dynamics
X He, Z Gong, B Wu, J Liu
The Journal of Physical Chemistry Letters 12 (10), 2496-2501, 2021
强制性开放获取政策： 国家自然科学基金委员会
Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics
X He, B Wu, Z Gong, J Liu
Journal of Physical Chemistry A https://doi.org/10.1021/acs.jpca.1c04429 …, 2021
强制性开放获取政策： 国家自然科学基金委员会
Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics
D Li, X Han, Y Chai, C Wang, Z Zhang, Z Chen, J Liu, J Shao
Journal of Chemical Physics 147, 184104, 2017
强制性开放获取政策： US Department of Energy, 国家自然科学基金委员会
New phase space formulations and quantum dynamics approaches
X He, B Wu, Y Shang, B Li, X Cheng, J Liu
Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (6), e1619, 2022
强制性开放获取政策： 国家自然科学基金委员会
Isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian with only 1-electron interactions
J Liu
Journal of Chemical Physics 146, 024110, 2017
强制性开放获取政策： 国家自然科学基金委员会
Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems
X Liu, J Liu
The Journal of Chemical Physics 148 (10), 2018
强制性开放获取政策： US Department of Energy, 国家自然科学基金委员会
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