Tautomeric equilibria of 2- and 4-thiouracil in gas phase and in solvent: A density functional study

International Journal of Quantum Chemistry

Volumn 82, Issue 1, 2001, Pages 44-52

  Marino, T ^a   Russo, N ^a   Sicilia, E ^a   Toscano, M ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; MOLECULAR VIBRATIONS; ORGANIC SOLVENTS; PHASE EQUILIBRIA; WATER;

DENSITY FUNCTIONAL THEORY (DFT); TAUTOMERS; THIOURACIL;

SULFUR COMPOUNDS;

EID: 0035281861     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)82:1<44::AID-QUA1020>3.0.CO;2-6     Document Type: Article

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