2D IR spectra of cyanide in water investigated by molecular dynamics simulations

Journal of Chemical Physics

Volumn 139, Issue 5, 2013, Pages

  Lee, Myung Won ^a   Carr, Joshua K ^b   Göllner, Michael ^a   Hamm, Peter ^c   Meuwly, Markus ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; CORRELATION FUNCTION; FREQUENCY FLUCTUATION; FULL WIDTHS AT HALF MAXIMUMS; MOLECULAR DYNAMICS SIMULATIONS; MULTIPOLAR INTERACTION; ROTATIONAL CONTRIBUTIONS; THREE TIME-SCALES;

EXPERIMENTS; MOLECULAR DYNAMICS; STRUCTURAL DYNAMICS; VAN DER WAALS FORCES;

TIME MEASUREMENT;

EID: 84903362436     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4815969     Document Type: Article

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