Software news and update optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method

Journal of Computational Chemistry

Volumn 27, Issue 3, 2006, Pages 396-405

  Vařeková, R Svobodová ^a   Koca J ^a  

^a MASARYK UNIVERSITY   (Czech Republic)

Author keywords

Atom bond electronegativity equalization method; Charge distribution; Electronegativity equalization method; Optimization; Parallel virtual machine; Parallelization

Indexed keywords

OPTIMIZATION; PARALLEL ALGORITHMS; QUANTUM THEORY; VIRTUAL REALITY;

ATOM-BOND ELECTRONEGATIVITY EQUALIZATION METHOD; CHARGE DISTRIBUTION; ELECTRONEGATIVITY EQUALIZATION METHOD; PARALLEL VIRTUAL MACHINE; PARALLELIZATION;

COMPUTER SOFTWARE;

EID: 32344437594     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20344     Document Type: Article

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