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Kateryna Goloviznina
Kateryna Goloviznina
Sorbonne Université
在 sorbonne-universite.fr 的电子邮件经过验证
标题
引用次数
引用次数
年份
Transferable, polarizable force field for ionic liquids
K Goloviznina, JN Canongia Lopes, M Costa Gomes, AAH Pádua
Journal of chemical theory and computation 15 (11), 5858-5871, 2019
1532019
Extension of the CL&Pol polarizable force field to electrolytes, protic ionic liquids, and deep eutectic solvents
K Goloviznina, Z Gong, MF Costa Gomes, AAH Padua
Journal of Chemical Theory and Computation 17 (3), 1606-1617, 2021
792021
The CL&Pol polarizable force field for the simulation of ionic liquids and eutectic solvents
K Goloviznina, Z Gong, AAH Padua
Wiley Interdiscip. Rev. Comput. Mol. Sci. 12 (3), e1572, 2022
482022
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
A Coretti, C Bacon, R Berthin, A Serva, L Scalfi, I Chubak, K Goloviznina, ...
The Journal of Chemical Physics 157 (18), 2022
322022
Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: the effect of polarizable force fields
A Massaro, J Avila, K Goloviznina, I Rivalta, C Gerbaldi, M Pavone, ...
Physical Chemistry Chemical Physics 22 (35), 20114-20122, 2020
212020
Flexibility is the key to tuning the transport properties of fluorinated imide-based ionic liquids
F Philippi, D Rauber, O Palumbo, K Goloviznina, J McDaniel, D Pugh, ...
Chemical Science 13 (32), 9176-9190, 2022
202022
Lithium salt effects on the liquid structure of choline chloride–urea deep eutectic solvent
ME Di Pietro, K Goloviznina, A van den Bruinhorst, ...
ACS Sustainable Chemistry & Engineering 10 (36), 11835-11845, 2022
182022
Charge transfer and polarisability in ionic liquids: a case study
F Philippi, K Goloviznina, Z Gong, S Gehrke, B Kirchner, AAH Pádua, ...
Physical Chemistry Chemical Physics 24 (5), 3144-3162, 2022
172022
Molecular dynamics of ionic liquids from fast-field cycling NMR and molecular dynamics simulations
JBB Beckmann, D Rauber, F Philippi, K Goloviznina, JA Ward-Williams, ...
The Journal of Physical Chemistry B 126 (37), 7143-7158, 2022
142022
The local structure in the BmimPF 6/acetonitrile mixture: the charge distribution effect
V Koverga, ON Kalugin, FA Miannay, Y Smortsova, K Goloviznina, ...
Physical Chemistry Chemical Physics 20 (34), 21890-21902, 2018
142018
2023 Roadmap on molecular modelling of electrochemical energy materials
C Zhang, J Cheng, Y Chen, MKY Chan, Q Cai, RP Carvalho, ...
Journal of Physics: Energy 5 (4), 041501, 2023
132023
Improved carbon dioxide absorption in double-charged ionic liquids
J Avila, LF Lepre, K Goloviznina, L Guazzelli, CS Pomelli, C Chiappe, ...
Physical Chemistry Chemical Physics 23 (40), 23130-23140, 2021
112021
Ion pair free energy surface as a probe of ionic liquid structure
K Bernardino, K Goloviznina, MC Gomes, AAH Pádua, MCC Ribeiro
The Journal of Chemical Physics 152 (1), 2020
112020
Spotting Interface Structuring during Na‐Insertion into the NaSICON Na3V2 (PO4) 3 by EQCM and Operando Fiber Optic Infrared Spectroscopy
E Bendadesse, C Gervillié‐Mouravieff, C Leau, K Goloviznina, F Rabuel, ...
Advanced Energy Materials 13 (26), 2300930, 2023
102023
Influence of tetraalkylammonium halides on analytical properties of universal acid-base indicator paper
EA Reshetnyak, VM Ostrovskaya, KV Goloviznina, NN Kamneva
Journal of Molecular Liquids 248, 610-615, 2017
102017
Enhancement of the solubility of organic dyes in aqueous ionic solvents doped with surfactants
K Goloviznina, LF Lepre, S Sabelle, AAH Pádua, MC Gomes
Journal of Molecular Liquids 357, 118958, 2022
82022
Electrochemical Properties and Local Structure of the TEMPO/TEMPO+ Redox Pair in Ionic Liquids
K Goloviznina, M Salanne
The Journal of Physical Chemistry B 127 (3), 742-756, 2023
72023
Agiliopadua/Fftool: XML Force Field Files, v1. 2.1
A Padua, K Goloviznina, Z Gong
Zenodo: Geneve, Switzerland, 2021
72021
Ambient Energy Dispersion and Long Term Stabilisation of Large Graphene Sheets from Graphite Using a Surface Energy Matched Ionic Liquid
JS Freeman, K Goloviznina, H Li, M Saunders, GG Warr, AAH Pádua, A R.
J. Ion. Liq. 1 (1), 100001, 2021
62021
Insights into structure–property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides
YKJ Bejaoui, F Philippi, HG Stammler, K Radacki, L Zapf, N Schopper, ...
Chemical Science 14 (8), 2200-2214, 2023
52023
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