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A quantum chemical study of the electronic structure of substituted germocanes

✍ Scribed by N. V. Alekseev; E. A. Chernyshev

Publisher
SP MAIK Nauka/Interperiodica
Year
2010
Tongue
English
Weight
224 KB
Volume
51
Category
Article
ISSN
0022-4766

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Electronic structure and reactivity of g
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