Zero-point energy problem in molecular dynamics calculations, and an improved method for sampling trajectories
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/1995/FT/FT9959103747
Cited by 10 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. Validating potential energy surfaces for classical trajectory calculations;RSC Advances;2015
2. Zero-Point Energy Constraint in Quasi-classical Trajectory Calculations;The Journal of Physical Chemistry A;2006-03-29
3. Trajectory Dynamics Study of the Ar + CH4 Dissociation Reaction at High Temperatures: the Importance of Zero-Point-Energy Effects;The Journal of Physical Chemistry A;2005-05-27
4. Mechanisms of H2 dissociative adsorption on the Pt(211) stepped surface;The Journal of Chemical Physics;2005-05-15
5. A direct dynamics study of the H2 elimination from 2,5-dihydrofuran;The Journal of Chemical Physics;2001-11
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