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	Pour les 17 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page :	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Transferable, Polarizable Force Field for Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents Kateryna Goloviznina , Zheng Gong , Margarida F. Costa Gomes , Agílio Pádua Journal of Chemical Theory and Computation, 2021, 17 (3), pp.1606-1617. ⟨10.1021/acs.jctc.0c01002⟩ Article dans une revue hal-03102805v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Lithium Salt Effects on the Liquid Structure of Choline Chloride–Urea Deep Eutectic Solvent Maria Enrica Di Pietro , Kateryna Goloviznina , Adriaan van den Bruinhorst , Giselle de Araujo Lima E Souza , Margarida Costa Gomes , et al. ACS Sustainable Chemistry & Engineering, 2022, 10 (36), pp.11835-11845. ⟨10.1021/acssuschemeng.2c02460⟩ Article dans une revue hal-04356867v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Prediction Dispersion and Induction Components for Polarizable Molecular Simulations of Ionic Liquids Kateryna Goloviznina , Margarida Costa Gomes , Agílio Pádua 8th Congress on Ionic Liquids, COIL-8, May 2019, Beijing, China. Poster de conférence hal-02136586v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Polarisable Force Field for Molecular Dynamics Simulations of Ionic Liquids Kateryna Goloviznina , Margarida Costa Gomes , Agílio Pádua 10th International Conference of Chemistry Toulouse-Kiev, ICTK10, Jun 2019, Toulouse, France. Poster de conférence hal-02166183v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Flexibility is the key to tuning the transport properties of fluorinated imide-based ionic liquids Frederik Philippi , Daniel Rauber , Oriele Palumbo , Kateryna Goloviznina , Jesse Mcdaniel , et al. Chemical Science, 2022, 13 (32), pp.9176-9190. ⟨10.1039/D2SC03074H⟩ Article dans une revue hal-04356998v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The CL &Pol polarizable force field for the simulation of ionic liquids and eutectic solvents Kateryna Goloviznina , Zheng Gong , Agílio Pádua WIREs Computational Molecular Science, 2021, ⟨10.1002/wcms.1572⟩ Article dans une revue hal-03365754v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Charge transfer and polarisability in ionic liquids: a case study Frederik Philippi , Kateryna Goloviznina , Zheng Gong , Sascha Gehrke , Barbara Kirchner , et al. Physical Chemistry Chemical Physics, 2022, 24 (5), pp.3144-3162. ⟨10.1039/d1cp04592j⟩ Article dans une revue hal-03644382v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		2023 Roadmap on molecular modelling of electrochemical energy materials Chao Zhang , Jun Cheng , Yiming Chen , Maria Chan , Qiong Cai , et al. JPhys Energy, 2023, 5 (4), pp.041501. ⟨10.1088/2515-7655/acfe9b⟩ Article dans une revue hal-04267648v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ion pair free energy surface as a probe of ionic liquid structure Kalil Bernardino , Kateryna Goloviznina , Margarida F. Costa Gomes , Agílio Pádua , Mauro Ribeiro Journal of Chemical Physics, 2020, 152 (1), pp.014103. ⟨10.1063/1.5128693⟩ Article dans une revue hal-02938701v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: the effect of polarizable force fields Arianna Massaro , Jocasta Avila , Kateryna Goloviznina , Ivan Rivalta , Claudio Gerbaldi , et al. Physical Chemistry Chemical Physics, 2020, 22, pp.20114-20122. ⟨10.1039/D0CP02760J⟩ Article dans une revue hal-02938881v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular Dynamics of Ionic Liquids from Fast-Field Cycling NMR and Molecular Dynamics Simulations Julian Beckmann , Daniel Rauber , Frederik Philippi , Kateryna Goloviznina , Jordan Ward-Williams , et al. Journal of Physical Chemistry B, 2022, 126 (37), pp.7143-7158. ⟨10.1021/acs.jpcb.2c01372⟩ Article dans une revue hal-04357000v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Unravelling free volume in branched-cation ionic liquids based on silicon Eduards Bakis , Kateryna Goloviznina , Inês Vaz , Diana Sloboda , Daniels Hazens , et al. Chemical Science, 2022, 13 (31), pp.9062-9073. ⟨10.1039/D2SC01696F⟩ Article dans une revue hal-04356995v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes Alessandro Coretti , Camille Bacon , Roxanne Berthin , Alessandra Serva , Laura Scalfi , et al. Journal of Chemical Physics, 2022, 157 (18), pp.184801. ⟨10.1063/5.0101777⟩ Article dans une revue hal-03843736v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Transferable, Polarizable Force Field for Ionic Liquids Kateryna Goloviznina , José N. Canongia Lopes , Margarida Costa Gomes , Agílio Pádua Journal of Chemical Theory and Computation, 2019, 15 (11), pp.5858-5871. ⟨10.1021/acs.jctc.9b00689⟩ Article dans une revue hal-02406379v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Improved carbon dioxide absorption in double-charged ionic liquids Jocasta Avila , Fernando Lepre , Kateryna Goloviznina , Lorenzo Guazzelli , Christian Silvio Silvio Pomelli , et al. Physical Chemistry Chemical Physics, 2021, 23, pp.23130-23140. ⟨10.1039/D1CP02080C⟩ Article dans une revue hal-03365783v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ambient energy dispersion and long-term stabilisation of large graphene sheets from graphite using a surface energy matched ionic liquid† Justin Freeman , Kateryna Goloviznina , Hua Li , Martin Saunders , Gregory Warr , et al. Journal of Ionic Liquids, 2021, 1 (1), pp.100001. ⟨10.1016/j.jil.2021.100001⟩ Article dans une revue hal-03365774v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Disclosing the Interfacial Electrolyte Structure of Na-Insertion Electrode Materials: Origins of the Desolvation Phenomenon Kateryna Goloviznina , Ezzoubair Bendadesse , Jean-Marie Tarascon , Mathieu Salanne , Ozlëm Sel ACS Applied Materials & Interfaces, 2023, 15 (51), pp.59380-59388. ⟨10.1021/acsami.3c12815⟩ Article dans une revue hal-04390081v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More