## 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
✦ LIBER ✦
Quantum-chemical examination of the structure and reactivity of some fluoroolefins
✍ Scribed by N. P. Borisova; L. P. Bokacheva; V. É. L'vovskii
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1973
- Tongue
- English
- Weight
- 348 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0022-4766
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## Abstract This paper offers a unified presentation of the main ring conformers of the diol expoxides, triol carbonium ions, and tetrols related to the “bay‐region” benzo ring of carcinogenic metabolites of PAH and brings forward quantitative information through __ab initio__ SCF computations abou