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Steric and Electronic Structure of C6H5XCF3Molecules (X = O or S): A Quantum-Chemical Study

✍ Scribed by V. M. Bzhezovskii; E. G. Kapustin; L. M. Yagupol'skii

Book ID
111544637
Publisher
Springer
Year
2003
Tongue
English
Weight
101 KB
Volume
73
Category
Article
ISSN
1070-3632

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✍ Ahmed Mehdi; Legesse Adane; Dhilon S. Patel; Prasad V. Bharatam πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 685 KB

## Abstract Electronic structure analysis of guanylthiourea (GTU) and its isomers has been carried out using quantum chemical methods. Two major tautomeric classes (thione and thiol) have been identified on the potential energy (PE) surface. In both the cases conjugation of pi‐electrons and intramo