Studies on molecular structure and tautomerism of a vitamin B 6 analog with density functional theory

Journal of Molecular Modeling

Volumn 18, Issue 5, 2012, Pages 1993-2001

  Sahoo, Suban K ^a   Sharma, Darshna ^a   Bera, Rati Kanta ^b  

^a SARDAR VALLABHBHAI NATIONAL INSTITUTE OF TECHNOLOGY   (India)

^b SANT LONGOWAL INSTITUTE OF ENGINEERING AND TECHNOLOGY   (India)

Author keywords

DFT; Pyridoxal; Schiff base; Tautomeric equilibria; Vitamin B 6

Indexed keywords

PYRIDOXINE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GAS; PRIORITY JOURNAL; TAUTOMER; TAUTOMERIZATION;

GASES; HYDROGEN-ION CONCENTRATION; ISOMERISM; KINETICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHENYLENEDIAMINES; PROTONS; PYRIDOXAL; QUANTUM THEORY; SCHIFF BASES; SOLUTIONS; THERMODYNAMICS; VITAMIN B 6;

EID: 84861230119     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1214-1     Document Type: Article

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