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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
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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
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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
IN MY: ORCID
4
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
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7
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 Unpaywall
IN MY: ORCID
8
TITLE: Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations
AUTHORS: Malaspina, Thaciana; V. Voroshylova, Iuliia ; Cordeiro, M. Natalia D. S. ; Fileti, Eudes Eterno;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 390
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
9
TITLE: Ammonium-, phosphonium- and sulfonium-based 2-cyanopyrrolidine ionic liquids for carbon dioxide fixation  Full Text
AUTHORS: Chaban, Vitaly V.; Andreeva, Nadezhda A.; Voroshylova, Iuliia V. ;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 16
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
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