A first principles simulation study of fluctuations of hydrogen bonds and vibrational frequencies of water at liquid-vapor interface

Chemical Physics

Volumn 392, Issue 1, 2012, Pages 96-104

  Chakraborty, Debashree ^a,b   Chandra, Amalendu ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Ab initio molecular dynamics; Hydrogen bond fluctuations; Spectral diffusion; Time series analysis; Void analysis; Water vapor interface

Indexed keywords

EID: 84855670109     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.10.025     Document Type: Article

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