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TITLE: Machine learning-driven prediction of deep eutectic solvents’ heat capacity for sustainable process design
AUTHORS: Amit Kumar Halder ; Reza Haghbakhsh; Elisabete C Ferreira ; Ana Rita Duarte; Natália D S Cordeiro;
PUBLISHED: 2025, SOURCE: Journal of Molecular Liquids, VOLUME: 418
INDEXED IN: Scopus CrossRef
IN MY: ORCID
2
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
5
TITLE: Structure and noncovalent interactions in ionic liquids mixtures and deep eutectic solvents
AUTHORS: Iuliia V Voroshylova ; Elisabete S.C Ferreira ; Volodymyr A Koverga; Carlos M Pereira ; Natália D.S D Cordeiro ;
PUBLISHED: 2021, SOURCE: Theoretical and Computational Approaches to Predicting Ionic Liquid Properties
INDEXED IN: CrossRef: 2
IN MY: ORCID
7
TITLE: Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study  Full Text
AUTHORS: Nádia M. Figueiredo ; Voroshylova, IV ; Koverga, VA; Ferreira, ESC ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 294
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
8
TITLE: Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study  Full Text
AUTHORS: Voroshylova, IV ; Ferreira, ESC ; Malcek, M; Costa, R ; Pereira, CM ; Cordeiro, NDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 38
IN MY: ORCID
9
TITLE: New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Volodymyr A Koverga; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 121, ISSUE: 48
INDEXED IN: Scopus WOS CrossRef: 24
IN MY: ORCID
10
TITLE: Improved Force Field Model for the Deep Eutectic Solvent Ethaline: Reliable Physicochemical Properties
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 120, ISSUE: 38
INDEXED IN: Scopus WOS CrossRef: 58
IN MY: ORCID
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