An analytic ring closure condition for geometrical algorithm to search the conformational space

Journal of Molecular Structure: THEOCHEM

Volumn 507, Issue 1-3, 2000, Pages 89-95

  Santagata, L N ^a   Suvire, F D ^a   Enriz, R D ^a  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

Author keywords

Analytic ring closure condition; Conformational space search; Cyclic compounds; Systematic conformational search

Indexed keywords

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; CYCLIZATION; GEOMETRY; MOLECULAR DYNAMICS; QUANTUM MECHANICS; REACTION ANALYSIS;

EID: 0034710298     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00353-X     Document Type: Article

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