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TITLE: Hydrogen binding on the B36 borophene nanoflake decorated with first row transition metal atoms: DFT, QTAIM and AIMD study
AUTHORS: Tancarova, Kristina; Voroshylova, Iuliia V. ; Bucinsky, Lukas; Malcek, Michal;
PUBLISHED: 2025, SOURCE: FLATCHEM, VOLUME: 49
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
2
TITLE: Hydrogen binding, hydrogen dissociation, and hydrogen storage on circumcoronenes decorated with light transition metals: DFT calculations meet AIMD simulations  Full Text
AUTHORS: Iuliia Voroshylova ; Ondřej Tkáč; Lukáš Bučinský; Michal Malček;
PUBLISHED: 2025, SOURCE: International Journal of Hydrogen Energy, VOLUME: 191
INDEXED IN: Scopus CrossRef
IN MY: ORCID
4
TITLE: Properties and interactions of magnetic ionic Liquids: Focus on greenhouse gas capture from MD simulations  Full Text
AUTHORS: Figueiredo, Nadia M.; Voroshylova, Iuliia V. ; Ferreira, Elisabete S. C.; Fonseca, Andreia da Palma; Marques, Jorge M. C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2025, SOURCE: SEPARATION AND PURIFICATION TECHNOLOGY, VOLUME: 364
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
5
TITLE: A computational study of the ternary mixtures of NaPF6-EC and choline glycine ionic liquid  Full Text
AUTHORS: Fileti, Eudes Eterno; Voroshylova, Iuliia V. ; Cordeiro, M. Natalia D. S. ; Malaspina, Thaciana;
PUBLISHED: 2024, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
6
TITLE: Ab initio molecular dynamics study of hydroxyl positioning in butanediol and its impact on deep eutectic solvent structure  Full Text
AUTHORS: Fileti, Eudes Eterno; Voroshylova, Iuliia V. ; Ferreira, Elisabete S. C. ; Cordeiro, M. Natalia D. S. ; Malaspina, Thaciana;
PUBLISHED: 2024, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 409
INDEXED IN: Scopus WOS CrossRef: 6
IN MY: ORCID
7
TITLE: Ionic liquid-electrode interface: Classification of ions, saturation of layers, and structure-determined potentials  Full Text
AUTHORS: Karu, Karl; Nerut, Eva Roos; Tao, Xueran; Kislenko, Sergei A.; Pohako Esko, Kaija; Voroshylova, Iuliia V. ; Ivanistsev, Vladislav B.;
PUBLISHED: 2024, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 503
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
10
TITLE: Electrical double layer in ionic liquids and deep eutectic solvents
AUTHORS: Iuliia V Voroshylova ; Elisabete S C Ferreira ; Natália N D S Cordeiro ;
PUBLISHED: 2023, SOURCE: Encyclopedia of Solid-Liquid Interfaces, VOLUME: 1-3
INDEXED IN: Scopus CrossRef: 1 Unpaywall
IN MY: ORCID
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