Results 181 to 190 of about 1,229,001 (201)

Molecular‐dynamics simulation for a model nonadiabatic proton transfer reaction in solution

Journal of Chemical Physics, 1991
Daniel Borgis, James T Hynes
exaly  

Unusual KIE and dynamics effects in the Fe-catalyzed hetero-Diels-Alder reaction of unactivated aldehydes and dienes

Nature Communications, 2020
Xiaoyong Zhang, Chuang-Chuang Li, Lung Wa Chung   +2 more
exaly  

Reaction Dynamics

Physics Bulletin, 1974
openaire   +1 more source

Electrochemical Dynamics of a Single Platinum Nanoparticle Collision Event for the Hydrogen Evolution Reaction

Angewandte Chemie - International Edition, 2018
Haiqiang Deng, Pekka Peljo, Zhiyong Fu   +2 more
exaly  

Molecular dynamics of a modelSN1 reaction in water

Journal of Chemical Physics, 1991
Kent R Wilson, James T Hynes
exaly  

Green’s-function reaction dynamics: A particle-based approach for simulating biochemical networks in time and space

Journal of Chemical Physics, 2005
Jeroen S van Zon, Pieter Rein ten Wolde, Pieter Rein Ten Wolde   +2 more
exaly  

Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

Nature Communications, 2020
Jinzhe Zeng, Liqun Cao, Mingyuan Xu
exaly  

An efficient multi-scale Green’s function reaction dynamics scheme

Journal of Chemical Physics, 2017
Luigi Sbailò, Frank Noe
exaly  

Direct ab initio molecular dynamics study on a microsolvated SN2 reaction of OH−(H2O) with CH3Cl

Journal of Chemical Physics, 2006
Hiroto Tachikawa
exaly  

Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H

Journal of Physical Chemistry Letters, 2012
Ricardo Perez de Tudela, F J Aoiz, Yury V Suleimanov   +2 more
exaly