Articles by Kateryna Goloviznina | Synthical

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Articles by Kateryna Goloviznina | Synthical

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Kateryna Goloviznina

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13

What Is a Good Simulant for Plutonium (III) in Molten Chloride Salts?

20 May 2025 by Kateryna Goloviznina and Mathieu Salanne at

Sorbonne Université

Energy, Chemical Engineering and Industrial Chemistry

Structural Dynamics of Molten NaCl–MgCl2–LaCl3: A Proxy for Molten Chloride Fast Reactor Fuels

4 February 2025 by Woei Jer Ng and others

Inorganic Chemistry, Coordination Chemistry

Proton transfer in [HEIM][TFSI] ionic liquid: insights from polarisable and neural network simulations

16 January 2025 by Martin Otero-Lema and others

Physical Chemistry

DFT-based Polarizable Ion Models for Molten Rare-earth Chlorides: from Lanthanum to Europium

26 November 2024 by Kateryna Goloviznina and others at

Sorbonne Université

Theoretical and Computational Chemistry, Physical Chemistry

Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations

11 April 2024 by Kateryna Goloviznina and others

Materials Science

Speciation of the proton in water-in-salt electrolytes

21 February 2024 by Kateryna Goloviznina and others at

Sorbonne Université

Theoretical and Computational Chemistry, Physical Chemistry

Oligomerization of lithium ions in water-in-salt electrolytes

26 October 2023 by Kateryna Goloviznina and others at

Sorbonne University

Physical Chemistry, Energy

Durable Light-Driven pH Switch for CO2 Capture/Release Enabled by Tuning Solvation Environment of Photoacids

17 October 2023 by Anna Vries and others at

ETHZ - ETH Zurich

Physical Chemistry, Energy

Attraction Between Like Charged Ions in Ionic Liquids: Unveiling the Enigma of Tetracyanoborate Anions

10 October 2023 by Kateryna Goloviznina and others

Theoretical and Computational Chemistry, Physical Chemistry

Disclosing the interfacial electrolyte structure at Na-insertion electrode materials: origins of desolvation phenomenon

29 August 2023 by Kateryna Goloviznina and others at

Sorbonne University

Theoretical and Computational Chemistry, Energy

Durable Light-Driven pH Switch Enabled by Solvation Environment Tuning of Metastable Photoacids

24 February 2023 by Anna Vries and others at

Physical Chemistry, Photochemistry

Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids

17 October 2022 by Kateryna Goloviznina and Mathieu Salanne at

Sorbonne University

Catalysis, Computational Chemistry and Modeling

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

7 June 2022 by Alessandro Coretti and others at

University of Vienna

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

Unravelling free volume in branched-cation ionic liquids based on silicon

29 March 2022 by Eduards Bakis and others at

École normale supérieure de Lyon

Theoretical and Computational Chemistry, Physical Chemistry

Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure

26 July 2021 by Kalil Bernardino and others

Soft Condensed Matter, Chemical Physics

Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents

22 January 2021 by Agilio Padua and others at

École normale supérieure de Lyon

Computational Chemistry and Modeling

A Transferable, Polarisable Force Field for Ionic Liquids

10 July 2019 by Kateryna Goloviznina and others

Computational Chemistry and Modeling

Topics

Physical Chemistry Computational Chemistry and Modeling Theoretical and Computational Chemistry Energy Physical and Chemical Properties Structure Energy Storage Photochemistry Materials Science Crystallography Catalysis Homogeneous Catalysis Redox Catalysis Thermodynamics Statistical Mechanics