Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Daria S. Stepaniuk"'
Autor:
Margaret M. Blazhynska, Alexander V. Kyrychenko, Daria S. Stepaniuk, Oleksandr M. Korsun, Sergiy M. Kovalenko, Vladimir V. Ivanov, François-Alexandre Miannay, Abdenacer Idrissi, Oleg N. Kalugin
Publikováno v:
Вісник Харківського національного університету: Серія xімія, Vol 34 (2020)
Externí odkaz:
https://doaj.org/article/e7fe046bcd0a4c4996d345beb8568640
Autor:
Margaret M. Blazhynska, Volodymyr Koverga, Alexander Kyrychenko, Daria S. Stepaniuk, François-Alexandre Miannay, Oleg N. Kalugin, Abdenacer Idrissi
Publikováno v:
Molecular Simulation
Molecular Simulation, Taylor & Francis, In press, pp.1-9. ⟨10.1080/08927022.2021.1962526⟩
Molecular Simulation, 2022, 48 (2), pp.99-107. ⟨10.1080/08927022.2021.1962526⟩
Molecular Simulation, Taylor & Francis, In press, pp.1-9. ⟨10.1080/08927022.2021.1962526⟩
Molecular Simulation, 2022, 48 (2), pp.99-107. ⟨10.1080/08927022.2021.1962526⟩
International audience; A combined molecular dynamics (MD) simulation and density functional theory (DFT) calculations were used to investigate the effect of the acetonitrile (ACN) solution on the absorption and the charge transfer in a D205 indoline
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ffe19f9e793f6bbff1c34b2d4c3cc894
https://hal-univ-pau.archives-ouvertes.fr/hal-03348946
https://hal-univ-pau.archives-ouvertes.fr/hal-03348946
Autor:
Alexander Kyrychenko, Vladimir V. Ivanov, Abdenacer Idrissi, Daria S. Stepaniuk, Oleg N. Kalugin, Sergiy M. Kovalenko, Oleksandr M. Korsun, Margaret M. Blazhynska, François-Alexandre Miannay
Publikováno v:
Вісник Харківського національного університету: Серія xімія, Vol 34 (2020)
Titanium dioxide (TiO2) is one of the most widely used nanomaterials in many emerging areas of material science, including solar energy harvesting and biomedical implanting. In this review, we present progress and recent achievements in the theory an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ad874e13d46a18a4c71270b3a4e1410
https://doaj.org/article/e7fe046bcd0a4c4996d345beb8568640
https://doaj.org/article/e7fe046bcd0a4c4996d345beb8568640
Autor:
Alexander Kyrychenko, Daria S. Stepaniuk, Margaret M. Blazhynska, Abdenacer Idrissi, Oleg N. Kalugin, Volodymyr Koverga
Publikováno v:
Journal of Molecular Liquids
Journal of Molecular Liquids, Elsevier, 2021, 332, pp.115811. ⟨10.1016/j.molliq.2021.115811⟩
Journal of Molecular Liquids, Elsevier, 2021, 332, pp.115811. ⟨10.1016/j.molliq.2021.115811⟩
International audience; Molecular dynamics computer simulations of the solid-liquid interface of TiO2 and D205 dye (anchored or free) and solvent, such as ionic liquids (1-butyl-3-methylimidazolium with hexafluorophosphate (BmimPF6) and trifluorometh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6f6a514cf59006149d4a8f3b36b20e8
https://doi.org/10.1016/j.molliq.2021.115811
https://doi.org/10.1016/j.molliq.2021.115811