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Quantum-chemical study of electronic structure and enthalpy of decomposition of azodicarbonamide

✍ Scribed by A. M. Nesterenko; V. I. Savitskas; O. M. Polumbrik; L. N. Markovskii

Book ID
112357462
Publisher
Springer
Year
1983
Tongue
English
Weight
450 KB
Volume
18
Category
Article
ISSN
0040-5760

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## 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