Theoretical study on molecular structures, intramolecular proton transfer reaction, and solvent effects of 1-phenyl-3-methyl-4-(6-hydro-4-amino-5-sulfo-2,3-pyrazine)-pyrazole-5-on e

Journal of Molecular Structure: THEOCHEM

Volumn 850, Issue 1-3, 2008, Pages 32-37

  Lin, He ^a   Wu, Dong ling ^a   Liu, Lang ^a   Jia, Dian zeng ^a  

^a XINJIANG UNIVERSITY   (China)

Author keywords

B3LYP; Density functional theory; Hydrogen bond; Intramolecular proton transfer; Solvent effects

Indexed keywords

EID: 38349188145     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.10.011     Document Type: Article

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