About the benzotriazole tautomerism: An ab initio study

Journal of Molecular Structure: THEOCHEM

Volumn 664-665, Issue , 2003, Pages 207-215

  Ueno, Leonardo T ^a   Ribeiro, Rodrigo O ^a   Rocha, Milton S ^a   Suárez Iha, Maria E V ^b   Iha, Koshun ^a   Machado, Francisco B C ^a  

^a INSTITUTO TECNOLÓGICO DE AERONÁUTICA   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Ab initio; Benzotriazole; Geometries; Vibrational frequencies

Indexed keywords

BENZOTRIAZOLE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; DIPOLE; GEOMETRY; ISOMERISM; METHODOLOGY; TAUTOMERIC EQUILIBRIUM; TAUTOMERIC SHIFT; THERMODYNAMICS; VIBRATION;

EID: 17144455253     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.09.004     Document Type: Article

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