Local and nonlocal density functional calculations of the molecular structure of isomeric thiadiazoles

Journal of Molecular Structure: THEOCHEM

Volumn 390, Issue 1-3, 1997, Pages 67-78

  Glossman, M Daniel ^a,b  

^a FACULTAD DE CIENCIAS EXACTAS   (Argentina)

^b DEPARTAMENTO DE CIENCIAS BÁSICAS   (Argentina)

Author keywords

Density functional theory; Fukui function; Hardness; Reactivity; Softness

Indexed keywords

EID: 0002121975     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04761-6     Document Type: Article

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