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Volumn 604, Issue 2-3, 2002, Pages 195-203

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 2. 3,4-diphenyl-1,2,5-thiadiazole 1-monoxide

(8) Castellano, E E a Piro, O E b Caram, J A c Mirifico M V c Aimone, S L c Vasini, E J c Marquez Lucero A d Glossman Mitnik, D d

a UNIVERSITY OF SÃO PAULO (Brazil)

b FACULTAD DE CIENCIAS EXACTAS (Argentina)

c INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA (Argentina)

d CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS (Mexico)

Author keywords

1,2,5 Thiadiazole 1 oxide; Ab initio MO calculations; DFT; Sensitivity analysis; Single crystal X ray diffraction

Indexed keywords

THIADIAZOLE DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFORMATION; DENSITY; DIPOLE; ENERGY; HARDNESS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 0037028539 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(01)00656-1 Document Type: Article

Times cited : (13)

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