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A theoretical study of the tautomeric forms of hydrophosphorilic compounds

✍ Scribed by Viktor M. Mamaev; Andrew V. Prisyajnuk; Ludmila S. Logutenko; Yurii V. Babin


Book ID
119767852
Publisher
Royal Society of Chemistry
Year
2000
Tongue
English
Weight
75 KB
Volume
10
Category
Article
ISSN
0959-9436

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Density functional study of neutral allo
✍ Costas, MarοΏ½a Eugenia; Acevedo-ChοΏ½vez, Rodolfo πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 172 KB πŸ‘ 2 views

Optimized structures and total molecular energy density functional theory calculations for the 14 possible neutral allopurinol tautomers Ε½ . Ε½ . Ε½ . Ε½ . give the decreasing stability order N 1 -HrN 5 -H ) N 2 -HrN 5 -H ) Ε½ . cis-enolicrN 1 -H for the three most stable forms. Several molecular and el