Electron densities of several small molecules as calculated from density functional theory

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6317-6324

  Wang, Jian ^a   Johnson, Benny G ^a   Boyd, Russell J ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CALCULATIONS; CARBON DIOXIDE; CARBON MONOXIDE; CARRIER CONCENTRATION; ELECTRONIC STRUCTURE; HYDROFLUORIC ACID; INORGANIC ACIDS; MOLECULAR STRUCTURE;

CORRELATION FUNCTIONALS; DENSITY FUNCTIONAL THEORY; DIPOLE MOMENTS; EQUILIBRIUM GEOMETRIES; VIBRATIONAL FREQUENCIES;

MOLECULES;

EID: 0030121857     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952944u     Document Type: Article

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