A theoretical approach to analytical properties of 2,4-diamino-5- phenylthiazole in water solution. Tautomerism and dependence on pH

Journal of the American Chemical Society

Volumn 120, Issue 46, 1998, Pages 12023-12033

  Montero, Luis A ^a   Esteva, Ana M ^b   Molina, José ^b   Zapardiel, Antonio ^b   Hernández, Lucas ^b   Márquez, Heydi ^b   Acosta, Alexis ^b  

^a Lab de Quim Compl y Teor   (Cuba)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

AMIPHENAZOLE; THIAZOLE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ARTICLE; DRUG CONFORMATION; DRUG SOLUTION; DRUG STRUCTURE; MOLECULAR INTERACTION; PH; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; STRUCTURE ANALYSIS; ULTRAVIOLET SPECTROPHOTOMETRY;

EID: 0032567167     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja981176s     Document Type: Article

References (2)

1. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; J. Wiley & Sons: New York, 1986.
2. Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087.