Zobrazeno 1 - 10
of 127
pro vyhledávání: '"V V, Lobanov"'
Publikováno v:
Успехи физики металлов, Vol 24, Iss 3, Pp 415-445 (2023)
We review and analyse the factors affecting the solubility of interstitial atoms (H) in the metal alloys. The electronic structure and atomic ordering of the AB-type alloys, as well as methods of calculation of the solubility for ordering cubic alloy
Externí odkaz:
https://doaj.org/article/2af01ed77b7c4792917cc4498832d750
Publikováno v:
Фізика і хімія твердого тіла, Vol 19, Iss 1, Pp 74-78 (2018)
A quantum chemical analysis has been carried out of the equilibrium structure and energy parameters of hydrated Li+, Na+, and K+ cations interacting with ionized silica surface by means of density functional theory method with extended basis set 6-31
Externí odkaz:
https://doaj.org/article/bab7e8544e8c4b7c928ef99343eeba7e
Publikováno v:
Журнал микробиологии, эпидемиологии и иммунобиологии, Vol 0, Iss 2, Pp 104-110 (2017)
The detection methods for microbial agents that have epidemiological significance are diversity but cultivation on nutritional media remains the gold standard in microbiological diagnostics. Choice of medium depends on the conditions in which, bacter
Externí odkaz:
https://doaj.org/article/4f9ad443c18a435a9934911a9a92a283
Autor:
O. V. Smirnova, A. G. Grebenyuk, V. V. Lobanov, T. A. Khalyavka, N. D. Shcherban, V. V. Permyakov, S. N. Scherbakov
Publikováno v:
Applied Nanoscience.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5a9f49c552c4ada5c60b26454182c71
https://doi.org/10.1007/s13204-023-02797-3
https://doi.org/10.1007/s13204-023-02797-3
Publikováno v:
Theoretical and Experimental Chemistry. 58:105-108
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c5fad297449911dcd5ba52b5f578cd4a
https://doi.org/10.1007/s11237-022-09727-4
https://doi.org/10.1007/s11237-022-09727-4
Publikováno v:
Фізика і хімія твердого тіла, Vol 16, Iss 2, Pp 316-321 (2016)
Calculations (DFT, B3LYP, 6-31 G**) chemical shifts core-level components of germanium atoms, whichare included in the surface layer of cluster Si96H84•Ge2, modeling complex molecular adsorption on germaniumfaces reconstructed Si(001)(4x2), showed
Externí odkaz:
https://doaj.org/article/33f78f55484f4fb59f8c04a6175c26bc
Autor:
A. G. Grebenyuk, M. I. Terets, A. A. Kravchenko, V. V. Lobanov, M. G. Portna, E. M. Demianenko
Publikováno v:
Himia, Fizika ta Tehnologia Poverhni. 12:358-364
The structure and energy characteristics of structures formed during arginine adsorption on silica surface from aqueous solution were studied by the density functional theory (B3LYP) method using a valence-split basis set 6-31++G(d,p) within the cont
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2fc3be4993a195da5e2aca30e170cbb6
https://doi.org/10.15407/hftp12.04.358
https://doi.org/10.15407/hftp12.04.358
Publikováno v:
Surface. 13:84-93
By the method of density functional theory (B3LYP, 6-31G **) the electronic structures of poly 3,4-ethylenedioxythiophene containing 12 links in charge states 0, +1, +2, +3 and +4 were calculated. It is shown that the oligomer of 12 units is sufficie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ade4545436596ce8ddfc614ce347596
https://doi.org/10.15407/surface.2021.13.084
https://doi.org/10.15407/surface.2021.13.084
Publikováno v:
Himia, Fizika ta Tehnologia Poverhni. 12:283-290
By the method of density functional theory with exchange-correlation functional B3LYP and basis set 3‑21G (d), the structural and energy characteristics have been considered of the molecular models of SnO2 nanoclusters of different size and composi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::467d17c63f2a490a2ae94a9bc6270cfb
https://doi.org/10.15407/hftp12.04.283
https://doi.org/10.15407/hftp12.04.283
Publikováno v:
Himia, Fizika ta Tehnologia Poverhni. 12:112-123
The regularities of interaction of hydrogen molecules with graphene-like planes, where two carbon atoms are replaced by nitrogen or boron atoms, have been studied by the methods of quantum chemistry (DFT, B3LYP, 6-31G**). To take into account the dis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e989035b9de9853558fc409612fb0aa6
https://doi.org/10.15407/hftp12.02.112
https://doi.org/10.15407/hftp12.02.112