Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer

Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: Case study with the NH3-HCl dimer

10.1063/1.3633273

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Bibliographic Details
Main Authors:	Ong, S.W., Lee, B.X.B., Kang, H.C.
Other Authors:	CHEMISTRY
Format:	Article
Published:	2014
Online Access:	http://scholarbank.nus.edu.sg/handle/10635/94104
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	National University of Singapore

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