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Quantum chemical study of the geometrical and electronic structure of niobium pentafluoride

✍ Scribed by E. L. Voit; A. V. Voit; V. K. Goncharuk; V. I. Sergienko

Book ID
110632780
Publisher
SP MAIK Nauka/Interperiodica
Year
1999
Tongue
English
Weight
360 KB
Volume
40
Category
Article
ISSN
0022-4766

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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