Quantum mechanical study of tautomerism of methimazole and the stability of methimazole-I 2 complexes

Journal of Molecular Structure: THEOCHEM

Volumn 710, Issue 1-3, 2004, Pages 77-84

  Roohi, H ^a   Ebrahimi, A ^a   Habibi, S M ^a  

^a UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

Ab initio and DFT methods; Methimazole (MMI) tautomers; MMI I 2 complexes; NBO and AIM analysis

Indexed keywords

THIAMAZOLE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; COVALENT BOND; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR STABILITY; PREDICTION; QUANTUM MECHANICS; REACTION ANALYSIS;

EID: 9644272571     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.09.005     Document Type: Article

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