Theoretical investigation of tautomerism in N-hydroxy amidines

Journal of Molecular Modeling

Volumn 15, Issue 7, 2009, Pages 807-816

  Tavakol, Hossein ^a   Arshadi, Sattar ^b  

^a UNIVERSITY OF ZABOL   (Iran)

^b PAYAME NOOR UNIVERSITY   (Iran)

Author keywords

DFT calculations; N hydroxy amidines; Tautomers; Transition state

Indexed keywords

AMIDINE; N HYDROXYAMIDINE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY CONVERSION; MATHEMATICAL ANALYSIS; PHASE TRANSITION; PRIORITY JOURNAL; ROOM TEMPERATURE; SOLVATION; STRUCTURE ANALYSIS; TAUTOMERIC SHIFT; THERMODYNAMICS;

AMIDINES; ISOMERISM; KINETICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SOLVENTS; THERMODYNAMICS; WATER;

EID: 67349088331     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0435-4     Document Type: Article

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