Ab initio quality electrostatic atomic and molecular properties including intermolecular energies from a transferable theoretical pseudoatom databank

Journal of Physical Chemistry A

Volumn 108, Issue 19, 2004, Pages 4283-4300

  Volkov, Anatoliy ^a   Li, Xue ^a   Koritsanszky, Tibor ^b   Coppens, Philip ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b MIDDLE TENNESSEE STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTAL ATOMIC STRUCTURE; DEFORMATION; ELECTRON DENSITY MEASUREMENT; ELECTROSTATICS; HYDROCARBONS; MOLECULAR PHYSICS; PROTEINS; QUANTUM THEORY;

AB INITIO MOLECULAR DENSITIES; CRITICAL POINT INDICES; DATABANK PARAMETERS; ZIEGER DECOMPOSITION;

AMINO ACIDS;

EID: 2542444267     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0379796     Document Type: Article

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