A theoretical investigation of the mechanism for the reaction between a quebrachitol derivative and N3-

Theoretical Chemistry Accounts

Volumn 107, Issue 4, 2002, Pages 229-240

  Dos Santos, Hélio F ^a,b   De Almeida, Mauro V ^b   De Almeida, Wagner B ^a,c  

^a FEDERAL UNIVERSITY OF JUIZ DE FORA   (Brazil)

^b Martelos MG   (Brazil)

^c Belo Horizonte   (Brazil)

Author keywords

Cyclitol; Quebrachitol; Solvent effect; Theoretical calculation

Indexed keywords

YOHIMBINE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL REACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE TRANSITION; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS; THEORETICAL STUDY;

EID: 0036245865     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0324-3     Document Type: Article

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