Email this article QUANTUM CHEMICAL STUDY GEOMETRICAL AND ELECTRONIC STRUCTURES AMINONITRENE IN SINGLET AND TRIPLET STATES
- Authors: Troshina M.A.1, Ostapenko G.I.1
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Affiliations:
- Togliatti State University, Togliatti
- Issue: No 2 (2014)
- Pages: 16-20
- Section: Natural Sciences
- URL: https://vektornaukitech.ru/jour/article/view/696
- ID: 696
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Abstract
Ab initio methods MO LCAO SCF using wide basis sets (6-311G(3d, 2p), cc-pVTz) calculated geometric and electronic parameters of the singlet and triplet forms aminonitrene, force field parameters and values of the oscillation frequency, as well as the thermodynamic parameters obtained stability of the singlet and triplet forms aminonitrene.
About the authors
Marina Alexandrovna Troshina
Togliatti State University, Togliatti
Author for correspondence.
Email: bunevresearchgroup@gmail.com
Master of Science, Docent of the chair «Chemistry, Chemical Process and Technology»
Russian FederationGennady Ivanovich Ostapenko
Togliatti State University, Togliatti
Email: gostap@tltsu.ru
Doctor of chemistry, professor of the chair «Chemistry, Chemical Process and Technology»
Russian FederationReferences
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