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Electronic structure and reactivity of 3-acetyl-2-methylbenzo[b]thiophene: a quantum chemical study

✍ Scribed by Yarovenko, V. N.; Khristoforova, L. V.; Belen’kii, L. I.; Chuvylkin, N. D.; Krayushkin, M. M.

Book ID
118809850
Publisher
Springer
Year
2011
Tongue
English
Weight
276 KB
Volume
60
Category
Article
ISSN
1573-9171

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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