Determination of best-fit potential parameters for a reactive force field using a genetic algorithm

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 1049-1061

  Pahari, Poonam ^a   Chaturvedi, Shashank ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

Decomposition products; Force field; Genetic algorithm; Potential parameters

Indexed keywords

CARBON; HYDROGEN; NITROGEN; NITROMETHANE; OXYGEN;

ACCURACY; ARTICLE; ELECTRICAL POTENTIAL PARAMETERS; FORCE; GENETIC ALGORITHM; PRIORITY JOURNAL; PROCESS OPTIMIZATION; REACTIVE FORCE FIELD;

ALGORITHMS; METHANE; METHODS; NITROPARAFFINS; ORGANIC CHEMICALS;

EID: 84861336877     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1124-2     Document Type: Article

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