Zobrazeno 1 - 10
of 225
pro vyhledávání: '"L. N. Shchegoleva"'
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
https://doi.org/10.1021/acs.jpcc.9b08331
Autor:
Beregovaya, I. V.1 (AUTHOR) ivb@nioch.nsc.ru, Shchegoleva, L. N.1 (AUTHOR), Borovkov, V. I.2 (AUTHOR), Karpov, V. M.1 (AUTHOR)
Publikováno v:
Journal of Structural Chemistry. Mar2019, Vol. 60 Issue 3, p373-376. 4p.
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
https://doi.org/10.1007/bf02578497
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
https://doi.org/10.1007/bf00747065
Publikováno v:
ChemInform. 26
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ca2dd9214b9a7ad12a20d5b5889c6a0
https://doi.org/10.1002/chin.199504146
https://doi.org/10.1002/chin.199504146
Publikováno v:
Journal of Structural Chemistry. 32:641-651
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6243c7633a75b22b769907ff6f9b177c
https://doi.org/10.1007/bf00752990
https://doi.org/10.1007/bf00752990
Autor:
Beregovaya, I. V.1 (AUTHOR) ivb@nioch.nsc.ru, Andreev, R. V.1 (AUTHOR), Shchegoleva, L. N.1 (AUTHOR)
Publikováno v:
Journal of Structural Chemistry. Oct2019, Vol. 60 Issue 10, p1578-1583. 6p.
Autor:
L. N. Shchegoleva, Yu. A. Kruglyak
Publikováno v:
Theoretical and Experimental Chemistry. 12:245-254
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6e3d267b28e5c603416b0e3f5cf1b28a
https://doi.org/10.1007/bf00527122
https://doi.org/10.1007/bf00527122
Publikováno v:
Journal of Structural Chemistry. 19:15-22
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::846c85e218c2f0821944a8ca7d7e7a0e
https://doi.org/10.1007/bf00745336
https://doi.org/10.1007/bf00745336
Publikováno v:
Theoretical and Experimental Chemistry. 10:487-496
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b50df1415b9341565b9513dba7eec4e8
https://doi.org/10.1007/bf00526177
https://doi.org/10.1007/bf00526177