Výsledky vyhledávání - "L. N. Shchegoleva"

Magnetic Resonance Characteristics of Negative Polarons in Neat Poly(3-hexyl-thiophene)

Autor: V. I. Borovkov, L. N. Shchegoleva

Publikováno v: The Journal of Physical Chemistry C. 123:28058-28065

Magnetic resonance characteristics of carriers of both electron spin and electric charge (polarons) in conjugated polymers are required for a deeper understanding of properties of these semiconduct...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b32a5e8af1d157f2a41da084279793ca
https://doi.org/10.1021/acs.jpcc.9b08331

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Structure and stability of the SiH3O2: Radical

Autor: B. N. Plakhutin, L. N. Shchegoleva, N. A. Kachurovskaya

Publikováno v: Journal of Structural Chemistry. 35:21-26

A quantum chemical ab initio study of the electronic structure and force constants of the SiH3O2. radical is reported. The minimum on the potential surface corresponds to a Cs symmetry structure (the2A11 term). The Hartree-Fock solution with the mini

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::62f87d01004882029ed682a10573885f
https://doi.org/10.1007/bf02578497

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Potential energy surface for highly symmetric structures described in the Hartree-Fock method by non-Roothaan type wave functions

Autor: L. N. Shchegoleva, Georgii M. Zhidomirov, V. N. Plakhutin

Publikováno v: Journal of Structural Chemistry. 33:621-630

The difficulties involved in the Hartree-Fock method of calculation of the force constants for structures described by non-Roothaan type wave functions were an- alyzed. It was shown on the example of the C4(D4h) molecule that the Hartree- Fock potent

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6d8ba1ca827a97a26f336c74ce2878eb
https://doi.org/10.1007/bf00747065

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