Application of density functional theory concepts to the study of the chemical reactivity of isomeric thiadiazolines

Journal of Molecular Structure: THEOCHEM

Volumn 535, Issue 1-3, 2001, Pages 39-47

  Mitnik, D Glossman ^a   Lucero, A Marquez ^a  

^a CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS   (Mexico)

Author keywords

Conductive polymers; Density functional theory; Fukui function; Hardness; Reactivity; Thiadiazolines

Indexed keywords

THIADIAZOLE DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL REACTION; DENSITY; DIPOLE; IONIZATION; ISOMER; MOLECULAR STABILITY; POLYMERIZATION; THEORY;

EID: 0035862817     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00569-8     Document Type: Article

References (31)