A Charge Analysis Derived from an Atomic Multipole Expansion

Journal of Computational Chemistry

Volumn 22, Issue 1, 2001, Pages 79-88

  Swart, Marcel ^a   Van Duijnen, Piet Th ^a   Snijders, Jaap G ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

Charge analysis; Density functional theory; Force field; Multipole expansion

Indexed keywords

EID: 0002684357     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(20010115)22:1<79::AID-JCC8>3.0.CO;2-B     Document Type: Article

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