Role of effective atomic masses in memory function-based models for liquids: A simulation study of liquid water

Journal of Chemical Physics

Volumn 125, Issue 23, 2006, Pages

  Calandrini, Vania ^a   Sutmann, Godehard ^b   Deriu, Antonio ^c   Kneller, Gerald R ^a,d  

^a CEA SACLAY   (France)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

^c UNIVERSITY OF PARMA   (Italy)

^d CENTRE DE BIOPHYSIQUE MOLÉCULAIRE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FOURIER TRANSFORMS; HYDROGEN; MOLECULAR VIBRATIONS; SPECTRUM ANALYSIS;

ATOMIC MASSES; MEMORY FUNCTION BASED MODELS; SIMPLE POINT CHARGE/EXTENDED (SPC/E); WATER MOLECULES;

MOLECULAR DYNAMICS;

HYDROGEN; WATER;

CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; LETTER; METHODOLOGY; NEUTRON; PHYSICAL CHEMISTRY; RADIATION SCATTERING; STATISTICAL MODEL; THEORETICAL MODEL; TIME;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; HYDROGEN; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; NEUTRONS; SCATTERING, RADIATION; TIME FACTORS; WATER;

EID: 33845760376     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2403877     Document Type: Article

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