A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: An analysis of tunneling and thermal activation-Reference-Cited by-同舟云学术

A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: An analysis of tunneling and thermal activation

Published:2006-03-07 Issue:9 Volume:124 Page:094110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Yamada Atsushi,Okazaki Susumu

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2172595

Reference46 articles.

1. An adiabatic dynamical simulation study of the Zundel polarization of strongly H‐bonded complexes in solution

2. Proton transfer in hydrogen‐bonded acid–base complexes in polar solvents

3. Curve Crossing Formulation for Proton Transfer Reactions in Solution

4. A topological analysis of the proton transfer in H5O2+

5. Wavefunction quantization of the proton motion in a H5O2+ dimer solvated in liquid water

Cited by 11 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications;The Journal of Chemical Physics;2024-06-17

2. Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials;Chemical Reviews;2020-02-10

3. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model;The Journal of Chemical Physics;2015-07-28

4. A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent;The Journal of Chemical Physics;2015-05-07

5. A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water;The Journal of Chemical Physics;2014-08-28