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

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

Chemical Physics Letters

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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
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spelling sg-nus-scholar.10635-1233112016-05-30T17:58:19Z Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics Mohanam, L.N. Ong, S.W. Tok, Eng Soon Kang, Hway Chuan CHEMISTRY Chemical Physics Letters 621 146-154 2016-04-29T06:04:39Z 2016-04-29T06:04:39Z 2015 Article Mohanam, L.N.,Ong, S.W.,Tok, Eng Soon,Kang, Hway Chuan (2015). Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics. Chemical Physics Letters 621 : 146-154. ScholarBank@NUS Repository. 00092614 http://scholarbank.nus.edu.sg/handle/10635/123311 NOT_IN_WOS Elsevier
institution National University of Singapore
building NUS Library
country Singapore
collection ScholarBank@NUS
description Chemical Physics Letters
author2 CHEMISTRY
author_facet CHEMISTRY
Mohanam, L.N.
Ong, S.W.
Tok, Eng Soon
Kang, Hway Chuan
format Article
author Mohanam, L.N.
Ong, S.W.
Tok, Eng Soon
Kang, Hway Chuan
spellingShingle Mohanam, L.N.
Ong, S.W.
Tok, Eng Soon
Kang, Hway Chuan
Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
author_sort Mohanam, L.N.
title Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
title_short Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
title_full Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
title_fullStr Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
title_full_unstemmed Effect of orbital and ionic dynamics coupling in barrier crossing rates for Car-Parrinello molecular dynamics
title_sort effect of orbital and ionic dynamics coupling in barrier crossing rates for car-parrinello molecular dynamics
publisher Elsevier
publishDate 2016
url http://scholarbank.nus.edu.sg/handle/10635/123311
_version_ 1681095882611621888

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