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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.
Article dans une revue
hal-04356867v1
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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
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Transferable, Polarizable Force Field for Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents
Kateryna Goloviznina
,
Zheng Gong
,
Margarida F. Costa Gomes
,
Agílio Pádua
Article dans une revue
hal-03102805v1
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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.
Article dans une revue
hal-04356998v1
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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
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Unravelling free volume in branched-cation ionic liquids based on silicon
Eduards Bakis
,
Kateryna Goloviznina
,
Inês Vaz
,
Diana Sloboda
,
Daniels Hazens
,
et al.
Article dans une revue
hal-04356995v1
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MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
Alessandro Coretti
,
Camille Bacon
,
Roxanne Berthin
,
Alessandra Serva
,
Laura Scalfi
,
et al.
Article dans une revue
hal-03843736v1
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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.
Article dans une revue
hal-04357000v1
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Ion pair free energy surface as a probe of ionic liquid structure
Kalil Bernardino
,
Kateryna Goloviznina
,
Margarida F. Costa Gomes
,
Agílio Pádua
,
Mauro Ribeiro
Article dans une revue
hal-02938701v1
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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.
Article dans une revue
hal-02938881v1
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2023 Roadmap on molecular modelling of electrochemical energy materials
Chao Zhang
,
Jun Cheng
,
Yiming Chen
,
Maria Chan
,
Qiong Cai
,
et al.
Article dans une revue
hal-04267648v1
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Charge transfer and polarisability in ionic liquids: a case study
Frederik Philippi
,
Kateryna Goloviznina
,
Zheng Gong
,
Sascha Gehrke
,
Barbara Kirchner
,
et al.
Article dans une revue
hal-03644382v1
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The CL &Pol polarizable force field for the simulation of ionic liquids and eutectic solvents
Kateryna Goloviznina
,
Zheng Gong
,
Agílio Pádua
Article dans une revue
hal-03365754v1
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Transferable, Polarizable Force Field for Ionic Liquids
Kateryna Goloviznina
,
José N. Canongia Lopes
,
Margarida Costa Gomes
,
Agílio Pádua
Article dans une revue
hal-02406379v1
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Improved carbon dioxide absorption in double-charged ionic liquids
Jocasta Avila
,
Fernando Lepre
,
Kateryna Goloviznina
,
Lorenzo Guazzelli
,
Christian Silvio Silvio Pomelli
,
et al.
Article dans une revue
hal-03365783v1
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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.
Article dans une revue
hal-03365774v1
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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
Article dans une revue
hal-04390081v1
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