Organizing atomic partial charges into a database

Journal of Molecular Structure: THEOCHEM

Volumn 589-590, Issue , 2002, Pages 1-5

  Csonka, Gábor I ^a   Ruzsinszky, Adrienn ^a   Oláh, Julianna ^a,b   Van Alsenoy, Christian ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Mulliken atomic charges; Natural population analysis atomic charges; Stockholder atomic charges

Indexed keywords

ATOMIC PARTICLE; DATA BASE; ELECTRON; ENERGY; GEOMETRY; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; REVIEW; VIBRATION;

EID: 0037119153     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00297-X     Document Type: Article

References (12)