Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics

Chemical Physics Letters

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Bibliographic Details
Main Authors: Mohanam, L.N., Ong, S.W., Tok, Eng Soon, Kang, Hway Chuan
Other Authors: CHEMISTRY
Format: Article
Published: Elsevier 2016
Online Access:http://scholarbank.nus.edu.sg/handle/10635/123311
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Institution: National University of Singapore
Description
Summary:Chemical Physics Letters