Rearrangement of 2,3-dihydro-1,2-diazepin-4-ol. Behavior of the molecular orbitals

Journal of Molecular Structure: THEOCHEM

Volumn 458, Issue 3, 1999, Pages 239-248

  Ramírez Galicia, Guillermo ^a   García, José ^a   Rubio, Manuel ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

AM1 semiempirical calculations; Frontier molecular orbitals and the neighbors; Reaction coordinate

Indexed keywords

2,3 DIHYDRO 1,2 DIAZEPIN 4 OL; 8 OXA 1,2 DIAZABICYCLO[3.2.1]OCTENE; BICYCLO[3.2.1]OCTANE DERIVATIVE; DIAZEPINE DERIVATIVE; UNCLASSIFIED DRUG;

ACETYLATION; ARTICLE; CALCULATION; CHEMICAL MODIFICATION; CHEMICAL REACTION; CONFORMATION;

EID: 0344117713     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00231-0     Document Type: Article

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