An ab initio molecular dynamics study of supercritical aqueous ionic solutions: Hydrogen bonding, rotational dynamics and vibrational spectral diffusion

Chemical Physics

Volumn 387, Issue 1-3, 2011, Pages 48-55

  Mallik, Bhabani S ^a,b   Chandra, Amalendu ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b University of Notre Dame   (United States)

Author keywords

Ab initio molecular dynamics; Hydrogen bond fluctuations; Ions in supercritical water; Spectral diffusion; Time series analysis

Indexed keywords

EID: 80052037682     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.06.031     Document Type: Article

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