Zobrazeno 1 - 10
of 29
pro vyhledávání: '"O.L. Shcheka"'
Publikováno v:
Journal of Structural Chemistry. 58:1090-1100
The article examines the electronic structure and orbital nature of luminescence excitation in a series of molecular crystals with the general formula E n AX6, where E n are organic and inorganic cations (diphenylguanidinium, guanidinium, and cesium)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11d487ce0e970e66a148610ce6dd26eb
https://doi.org/10.1134/s0022476617060051
https://doi.org/10.1134/s0022476617060051
Publikováno v:
Computational and Theoretical Chemistry. 1119:26-31
The electronic structure of β-diketonates of transition d5 and d7 metals - bis-acetylacetonates of manganese and cobalt (Mn(acac)2 and Co(acac)2) has been studied. In this paper, the effectiveness of the application of DFT methods for the descriptio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5137ce02d3d9a66ab6bde7cf77eef34
https://doi.org/10.1016/j.comptc.2017.09.004
https://doi.org/10.1016/j.comptc.2017.09.004
Autor:
O.L. Shcheka, A. G. Mirochnik, A. A. Dotsenko, T. V. Sedakova, Vitaliy I. Vovna, Vladimir V. Korochentsev
Publikováno v:
Journal of Molecular Structure. 1109:13-21
The present paper continues a series of publications on the investigation of complex compounds of s2 ions and their properties. The structure of the valence levels of Cs2TeX6, (HGu)2TeCl6 complexes (where Х = Cl, Br; HGu+ – guanidinium) is examine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dbd9b1810988e9890911629a7751751f
https://doi.org/10.1016/j.molstruc.2015.12.067
https://doi.org/10.1016/j.molstruc.2015.12.067
Autor:
Ilya S. Samoilov, S. A. Tikhonov, A.A. Komissarov, Vitaliy I. Vovna, Vladimir V. Korochentsev, O.L. Shcheka
Publikováno v:
Journal of Molecular Structure. 1204:127540
The electronic structure of Be (II), Mg (II), and Zn (II) acetylacetonates and hexafluoroacetylacetonates was calculated in the DFT approximation. The energies of MOs and ionization energies calculated by the OVGF method were compared with the publis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::10c1e9033bb4a1eb8b33d5ab8a8673df
https://doi.org/10.1016/j.molstruc.2019.127540
https://doi.org/10.1016/j.molstruc.2019.127540
Electronic structure and luminescence of antimony (III) halide complexes with N,N′-diphenylguanidine
Autor:
Vladimir V. Korochentsev, O.L. Shcheka, A. G. Mirochnik, T. V. Sedakova, A. A. Dotsenko, V. I. Sergienko, Vitaliy I. Vovna, I. S. Os’mushko
Publikováno v:
Journal of Molecular Structure. 1091:138-146
To determine the orbital nature of the excitation for the luminescence of the SbX63−(HDphg)+3 complexes, where X = Cl, Br and HDphg+ is diphenylguanidine, the structure of the valence and core levels was investigated using X-ray photoelectron spect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ffac9e7e15711f8d8bb318cef075cd1
https://doi.org/10.1016/j.molstruc.2015.02.068
https://doi.org/10.1016/j.molstruc.2015.02.068
Autor:
S. A. Tikhonov, Irina V. Svistunova, I. S. Os’mushko, O.L. Shcheka, Vitaliy I. Vovna, I. B. L’vov
Publikováno v:
Journal of Electron Spectroscopy and Related Phenomena. 197:43-49
The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f5fe093b75cf84a8715279e4e0b942f9
https://doi.org/10.1016/j.elspec.2014.08.009
https://doi.org/10.1016/j.elspec.2014.08.009
Autor:
V. A. Yashin, O.L. Shcheka, A. A. Dotsenko, V. I. Vovna, V. V. Korochentsev, A. A. Komissarov
Publikováno v:
Journal of Nano- and Electronic Physics. 10:06044-1
It is new study of some molecular crystals with a perovskite structure, whose luminescent, thermochromic, nonlinear optical and dielectric properties provide opportunities for their wide practical application. This paper presents the results of an in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4adb4504334dd5c5b9aed1c910d2b1c7
https://doi.org/10.21272/jnep.10(6).06044
https://doi.org/10.21272/jnep.10(6).06044
Publikováno v:
Journal of Electron Spectroscopy and Related Phenomena. 70:83-88
The electron structure of Fe(acac) 3 and Co(acac) 3 and their γ-halogen substituted compounds has been investigated by using X-ray emission spectroscopy of the vapours. The experimental data are compared with the results of theoretical calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5541b31ff1de7007f45f5cba921949fc
https://doi.org/10.1016/0368-2048(94)02213-j
https://doi.org/10.1016/0368-2048(94)02213-j
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Akademický článek
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