Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Volodymyr Koverga"'
Autor:
Dmytro Dudariev, Volodymyr Koverga, Oleg Kalugin, François-Alexandre Miannay, Kamil Polok, Toshiyuki Takamuku, Pál Jedlovszky, Abdenacer Idrissi
Publikováno v:
The Journal of Physical Chemistry B. 127:2534-2545
Autor:
Volodymyr Koverga, Ákos Juhász, Dmytro Dudariev, Maxim Lebedev, Abdenacer Idrissi, Pál Jedlovszky
Publikováno v:
The journal of physical chemistry. B. 126(36)
Molecular dynamics simulations of mixtures of
Autor:
Kun Wang, Yuechen Gao, Mohamed Mostafa, Thanh Nguyen, Hyang Seol, Volodymyr Koverga, Naveen Dandu, Anh Ngo, Gang Cheng, Sangil Kim
Publikováno v:
ECS Meeting Abstracts. :391-391
Currently, lithium-ion batteries (LIBs) are considered to be one of the most popular energy storage systems for electronic devices supported by high energy density, high operating voltage, and favorable cycling performance. However, commercial LIBs w
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:
Bogdan A. Marekha, Volodymyr Koverga, Nishith Maity, Akos Juhasz, François A. Miannay, Anton Inkol, Toshiyuki Takamuku, Pal Jedlovszky, Oleg N. Kalugin, Abdenacer Idrissi
Publikováno v:
Molecular Basics of Liquids and Liquid-Based Materials ISBN: 9789811653940
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4c7ff1b1c67a6aba892ae2209e9da79
https://doi.org/10.1007/978-981-16-5395-7_10
https://doi.org/10.1007/978-981-16-5395-7_10
Autor:
Kamil Polok, Oleg N. Kalugin, Nishith Maity, Volodymyr Koverga, Adam Świątek, Abdenacer Idrissi, Pál Jedlovszky, François Alexandre Miannay, Toshiyuki Takamuku, Akos Juhasz
Publikováno v:
Journal of Physical Chemistry B
Journal of Physical Chemistry B, 2020, 124 (46), pp.10419-10434. ⟨10.1021/acs.jpcb.0c07398⟩
Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (46), pp.10419-10434. ⟨10.1021/acs.jpcb.0c07398⟩
Journal of Physical Chemistry B, 2020, 124 (46), pp.10419-10434. ⟨10.1021/acs.jpcb.0c07398⟩
Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (46), pp.10419-10434. ⟨10.1021/acs.jpcb.0c07398⟩
International audience; The inhomogeneity distribution in four imidazolium-based ionic liquids (ILs) containing the 1-butyl-3-methylimidazolium (C4mim) cation, coupled with tetrafluoroborate (BF4), hexafluorophosphate (PF6), bis(trifluoromethanesulfo
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
Autor:
Volodymyr, Koverga, Oleg N, Kalugin, François-Alexandre, Miannay, Yevheniia, Smortsova, Kateryna, Goloviznina, Bogdan, Marekha, Pal, Jedlovszky, Abdenacer, Idrissi
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(34)
The changes of the local structure in the binary mixture of 1-butyl-3-methylimidazolium hexafluorophosphate (BmimPF6) ionic liquid and acetonitrile are investigated over the entire composition range. Two charge distribution models of the ions are con