Transferable group contributions for a variety of chemical phenomena and compounds

Theoretical Chemistry Accounts

Volumn 110, Issue 6, 2003, Pages 446-459

  Alagona, Giuliano ^a   Campanile, Silvio ^a   Ghio, Caterina ^a   Giolitti, Alessandro ^b   Monti, Susanna ^a  

^a AREA DELLA RICERCA   (Italy)

^b Menarini Ricerche SpA   (Italy)

Author keywords

Atomic charges; Chemical fragments; Electrostatic potential maps; Transferable localized orbitals

Indexed keywords

HYDROCARBON;

ACCURACY; CHEMICAL STRUCTURE; CONFERENCE PAPER; COVALENT BOND; DATA BASE; DENSITY; ELECTRIC POTENTIAL; ELECTRICITY; MATHEMATICAL ANALYSIS; MOLECULAR ELECTROSTATIC POTENTIAL; PHYSICAL CHEMISTRY; STRUCTURE ANALYSIS;

EID: 0347090488     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0501-z     Document Type: Conference Paper

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