Ab initio molecular dynamics simulation of a 1-ethyl-3-methylimidazolium fluoride-hydrogen fluoride mixture

Journal of Physical Chemistry B

Volumn 112, Issue 25, 2008, Pages 7566-7573

  Bhargava, B L ^a,b   Balasubramanian, S ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDS; AMORPHOUS FILMS; HYDROFLUORIC ACID; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NANOFLUIDICS; QUANTUM CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS SIMULATION; CAR-PARRINELLO MOLECULAR DYNAMICS; HYDROGEN FLUORIDES; INTERMOLECULAR STRUCTURES; STRUCTURE FACTOR; X-RAY SCATTERING DATA;

DYNAMICS;

EID: 53349117199     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801323g     Document Type: Article

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