Semi-empirical (PM3 and AM1) and ab initio molecular orbital calculations of 1,2,4-oxadiazoles, 4,5-dihydro-1,2,4-oxadiazoles and 4,4-di-n-butyl-2- phenylbenzo-1,3-oxazine

Journal of Molecular Structure: THEOCHEM

Volumn 640, Issue 1-3, 2003, Pages 49-56

  Srivastava, Rajendra M ^a   Faustino, Wagner M ^a   Brinn, Ira M ^b  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

1,2,4 Oxadiazoles; 1,3 Oxazine; Ab initio molecular orbital calculations

Indexed keywords

1,2,4 OXADIAZOLE DERIVATIVE; 1,3 OXAZINE DERIVATIVE; 4,4 DI N BUTYL 2 PHENYLBENZ 1,3 OXAZINE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; MOLECULAR INTERACTION; MOLECULAR PHYSICS;

EID: 0842327775     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00511-6     Document Type: Article

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