Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

Proceedings of the National Academy of Sciences of the United States of America

Volumn 107, Issue 27, 2010, Pages 12068-12073

  Heyden, Matthias ^a   Sun, Jian ^a   Funkner, Stefan ^a   Mathias, Gerald ^a,b   Forbert, Harald ^a   Havenith, Martina ^a   Marx, Dominik ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b UNIVERSITY OF MUNICH   (Germany)

Author keywords

Ab initio molecular dynamics; Hydrogen bonding; Infrared spectroscopy; Solvation; Vibrational modes

Indexed keywords

WATER;

ARTICLE; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULE; PRIORITY JOURNAL; SPACE; TIME;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; SOLUTIONS; SPECTROPHOTOMETRY, INFRARED; TIME FACTORS; WATER;

EID: 77955440237     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0914885107     Document Type: Article

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