Comparative study of Hamilton and overlap population methods for the analysis of chemical bonding

Journal of Chemical Physics

Volumn 113, Issue 5, 2000, Pages 1698-1704

  Glassey, Wingfield V ^a   Hoffmann, Roald ^a  

^a Cornell University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHARGE TRANSFER; ELECTRON ENERGY LEVELS; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; FLUORINE COMPOUNDS; MOLECULAR DYNAMICS; MOLECULES; NUMERICAL METHODS; PHOSPHORUS;

ATOM BOND ENERGY PARTITIONING; ATOMIC ELECTRONEGATIVITY DIFFERENCE; HAMILTON POPULATION ANALYSIS; ONE ELECTRON MOLECULAR ORBITAL FRAMEWORK; ORBITAL INTERACTIONS; VALENCE ELECTRON DENSITY;

CHEMICAL BONDS;

EID: 0034249786     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481971     Document Type: Article

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