Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

Journal of Chemical Physics

Volumn 118, Issue 8, 2003, Pages 3639-3645

  Kreitmeir, Markus ^a   Bertagnolli, Helmut ^a   Mortensen, Jens Jørgen ^b   Parrinello, Michele ^c,d  

^a UNIVERSITY OF STUTTGART   (Germany)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^c Centro Svizzero Di Calcolo Scientifico   (Switzerland)

^d ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; THERMODYNAMICS;

THERMODYNAMIC STATES;

HYDROGEN INORGANIC COMPOUNDS;

EID: 0037460570     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1539045     Document Type: Article

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