A theoretical study on 2-hydroxypyrazine and 2,3-dihydroxypyrazine: Tautomerism, intramolecular hydrogen bond, solvent effects

Journal of Molecular Structure: THEOCHEM

Volumn 459, Issue 1-3, 1999, Pages 229-237

  El Nahas, Ahmed M ^a   Hirao, Kimihiko ^b  

^a Menoufia University   (Egypt)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Ab Initio; DFT; Dihydroxypyrazine; Hydroxypyrazine; Intramolecular hydrogen bond; Solvent effects; Tautomerism

Indexed keywords

2 HYDROXYPYRAZINE; 2,3 DIHYDROXYPYRAZINE; PYRAZINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; GEOMETRY; HYDROGEN BOND; SOLVATION;

EID: 84961984983     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00270-X     Document Type: Article

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