I: METHODOLOGY: Consistent charge equilibration (CQEq)

Molecular Physics

Volumn 101, Issue 1-2, 2003, Pages 3-17

  Kitao, O ^a,b   Ogawa, T ^a,c  

^a UNIVERSITY OF TOKYO   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c Society of Chemical Engineers Japan   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; COMPUTER SIMULATION; ELECTROSTATICS; MOLECULAR DYNAMICS; OPTIMIZATION;

ATOMIC PARTIAL CHARGE; CHARGE EQUILIBRIUM; NUCLEAR CHARGE;

MOLECULAR PHYSICS;

EID: 0038357608     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970210162736     Document Type: Article

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