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Journal of Molecular Structure: THEOCHEM

Volumn 538, Issue 1-3, 2001, Pages 201-210

Hartree-fock (HF) and local and nonlocal density functional (DFT) calculations of the molecular structure of isomeric thiadiazolidines

(2) Glossman Mitnik, D a Lucero, A Marquez a

a CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS (Mexico)

Author keywords

Density functional theory; Fukui function; Hardness; Polymers; Reactivity; Thiadiazolidines

Indexed keywords

POLYMER; THIAZOLIDINE DERIVATIVE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; HARDNESS; ISOMERISM; MOLECULAR INTERACTION;

EID: 0035970916 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00703-X Document Type: Article

Times cited : (15)

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