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Journal of Molecular Structure: THEOCHEM

Volumn 588, Issue , 2002, Pages 71-78

Reaction mechanism studies made simple using simulated annealing. Potential energy surface exploration

(5) Siri, Didier a Gaudel Siri, Anouk a,b Pons, Jean Marc b Liotard, Daniel a Rajzmann, Michel b

a CNRS (France)

b AIX MARSEILLE UNIVERSITY (France)

Author keywords

Competing reactions; Energy; Gradient norm; Semiempirical method; Simulated annealing

Indexed keywords

BETA LACTONE DERIVATIVE; LACTONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CYCLOADDITION; ENERGY; MOLECULAR DYNAMICS; REACTION ANALYSIS; SIMULATION; STEREOCHEMISTRY; SURFACE PROPERTY;

EID: 0037178484 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00133-1 Document Type: Article

Times cited : (10)

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