Hydrogen fluoride phase behavior and molecular structure: A QM/MM potential model approach

Journal of Chemical Physics

Volumn 119, Issue 14, 2003, Pages 7365-7371

  Wierzchowski, Scott J ^a   Kofke, David A ^a   Gao, Jiali ^b  

^a the State University of New York   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY (SPECIFIC GRAVITY); FUNCTIONS; HAMILTONIANS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; QUANTUM THEORY; SUPERCRITICAL FLUIDS; VAPOR PRESSURE; VAPORIZATION;

HEAT OF VAPORIZATION; HYDROGEN FLUORIDE; MOLECULAR ORBITAL DERIVED POLARIZABLE POTENTIAL FUNCTION; MOLECULAR POLARIZATION; SEMIEMPIRICAL METHOD;

HYDROGEN INORGANIC COMPOUNDS;

EID: 0142242177     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1607919     Document Type: Article

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