Molecular geometry-dependent atomic charge calculation with modified charge equilibration method

Chem-Bio Informatics Journal

Volumn 9, Issue 1, 2009, Pages 30-40

  Aoki, Kozo ^a   Tanaka, Shigenori ^b   Nakano, Tatsuya ^c  

^a UNIVERSITY OF TOKYO   (Japan)

^b KOBE UNIVERSITY   (Japan)

^c NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

Author keywords

Atomic charge; Charge equilibration method; Ohno Klopman equation key words; QEq

Indexed keywords

EID: 69249140996     PISSN: 13476297     EISSN: 13470442     Source Type: Journal    
DOI: 10.1273/cbij.9.30     Document Type: Article

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