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Quantum-Chemical Analysis of Electronic Excitation and Reactivity of Olefins and Dienes

✍ Scribed by K. K. Kalnin'sh; S. G. Semenov

Book ID
118661371
Publisher
SP MAIK Nauka/Interperiodica
Year
2003
Tongue
English
Weight
468 KB
Volume
76
Category
Article
ISSN
1070-4272

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Electronic structure and reactivity of guanylthiourea: A quantum chemical study
✍ 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