Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Vitaliy V. Koval"'
Autor:
Iliya V. Getmanskii, Vitaliy V. Koval, Nikolay V. Tkachenko, Stanislav A. Zaitsev, Alexander I. Boldyrev, Ruslan M. Minyaev
Publikováno v:
MRS Bulletin. 48:207-213
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d4909a1117e5782530896e06d891fcb
https://doi.org/10.1557/s43577-022-00383-6
https://doi.org/10.1557/s43577-022-00383-6
Autor:
Vitaliy V. Koval, Anastasia S. Kozlenko, Vladimir I. Minkin, Islam M. El-Sewify, Boris S. Lukyanov
Publikováno v:
Mendeleev Communications. 32:467-470
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7789485b337d584ccc40f2feb02d0ff1
https://doi.org/10.1016/j.mencom.2022.07.013
https://doi.org/10.1016/j.mencom.2022.07.013
Autor:
Iliya V, Getmanskii, Stanislav A, Zaitsev, Vitaliy V, Koval, Ruslan M, Minyaev, Vladimir I, Minkin
Publikováno v:
The journal of physical chemistry. A. 125(30)
The structural, mechanical, electrical, and optical properties of new supertetrahedral structures
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6327efeb18c5089aeea257071dd8bf88
https://pubmed.ncbi.nlm.nih.gov/34291645
https://pubmed.ncbi.nlm.nih.gov/34291645
Autor:
Ruslan M. Minyaev, Vladimir I. Minkin, Iliya V. Getmanskii, Alexander I. Boldyrev, Vitaliy V. Koval
Publikováno v:
Journal of Computational Chemistry. 40:1861-1865
A new metastable crystalline form of gallium has been computationally designed using density functional calculations with imposing periodic boundary conditions. The geometric and electronic structures of the predicted new allotrope were calculated on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cef02820d9cb22811f7d1368413fc1ed
https://doi.org/10.1002/jcc.25837
https://doi.org/10.1002/jcc.25837
Autor:
Nikita Fedik, Ruslan M. Minyaev, Vitaliy V. Koval, Vladimir I. Minkin, Olga A. Gapurenko, Alexander I. Boldyrev
Publikováno v:
Structural Chemistry. 30:805-814
Using the DFT methods, we computationally predict the stability of cage compounds E4nRn (E = B, C; R = H, F; n = 4, 8, 12, 24) based on Platonic bodies and Archimedean polyhedrons in which all vertices are replaced by tetrahedral E4R fragments. Cage
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5afc652a60dc0d33824c7a2ed023068
https://doi.org/10.1007/s11224-019-1279-5
https://doi.org/10.1007/s11224-019-1279-5
Autor:
Alexander I. Boldyrev, Ruslan M. Minyaev, Vladimir I. Minkin, Iliya V. Getmanskii, Vitaliy V. Koval
Publikováno v:
The Journal of Physical Chemistry A. 123:267-271
New metastable crystalline forms of the supertetrahedral Al4X (X = B, C, Al, Si) solids have been computationally designed using density functional theory calculations with imposing of periodic boundary conditions. The geometric and electronic struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8879fb0bc5d0ec8a76136b321fb627c1
https://doi.org/10.1021/acs.jpca.8b10248
https://doi.org/10.1021/acs.jpca.8b10248
Autor:
Vladimir I. Minkin, Iliya V. Getmanskii, R. M. Minyaev, Alexander I. Boldyrev, Vitaliy V. Koval
Publikováno v:
The Journal of Physical Chemistry C. 121:22187-22190
A new metastable ultralight crystalline form of aluminum has been computationally designed using density functional calculations with imposing periodic boundary conditions. The geometric and electronic structures of the predicted new allotrope were c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed9497c981977df7330393bf0ead92ed
https://doi.org/10.1021/acs.jpcc.7b07565
https://doi.org/10.1021/acs.jpcc.7b07565
Autor:
S. A. Zaitsev, Dmitriy Steglenko, Vitaliy V. Koval, R. M. Minyaev, Vladimir I. Minkin, Iliya V. Getmanskii
Publikováno v:
Russian Journal of Inorganic Chemistry. 62:802-807
The electronic and spatial structures of carbon, boron, and aluminum supertetrahedrane models of graphane have been studied by means of density functional theory methods in the supermolecular approximation (B3LYP/6-311G(df,2p)) and with imposing peri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b95b067ed4abea35659612fd79ffe869
https://doi.org/10.1134/s0036023617060237
https://doi.org/10.1134/s0036023617060237
Autor:
S. A. Zaitsev, Dmitrii V. Steglenko, Vladimir I. Minkin, Iliya V. Getmanskii, Vitaliy V. Koval, R. M. Minyaev
Publikováno v:
Angewandte Chemie (International Ed. in English)
With help of the DFT calculations and imposing of periodic boundary conditions the geometrical and electronic structures were investigated of two‐ and three‐dimensional boron systems designed on the basis of graphane and diamond lattices in which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c3f7f12115eb2782e16f05db2c6527d
https://doi.org/10.1002/ange.201701225
https://doi.org/10.1002/ange.201701225
Publikováno v:
Mendeleev Communications. 28:173-175
The quantum chemical modeling of new solid state structures based on a diamond lattice in which pairs of carbon atoms are replaced by B4X fragments (where B4 is a tetrahedron and X are B, C, Al or Si atoms) has been performed using density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20495b688b4ee08da1bcaba9e046e7f3
https://doi.org/10.1016/j.mencom.2018.03.021
https://doi.org/10.1016/j.mencom.2018.03.021