Fitting potential energy surface of reactive systems via genetic algorithm

International Journal of Quantum Chemistry

Volumn 106, Issue 13, 2006, Pages 2650-2657

  Ferreira Da Cunha, Wiliam ^a   Roncaratti, Luiz Fernando ^a   Gargano, Ricardo ^a   E Silva, Geraldo Magela ^a  

^a UNIVERSITY OF BRASILIA   (Brazil)

Author keywords

Genetic algorithm; Na+HF reactive system; Potential energy surface

Indexed keywords

GENETIC ALGORITHMS; OPTIMIZATION; POTENTIAL ENERGY; TOPOLOGY;

ISOENERGETIC CONTOURS; MINIMUM ENERGY PATH (MEP); POTENTIAL ENERGY SURFACE; REACTIVE SYSTEMS;

INTERFACIAL ENERGY;

EID: 33749182178     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21019     Document Type: Conference Paper

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