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 | 153 | 2019 |
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 | 79 | 2021 |
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 | 48 | 2022 |
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 | 32 | 2022 |
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 | 21 | 2020 |
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 | 20 | 2022 |
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 | 18 | 2022 |
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 | 17 | 2022 |
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 | 14 | 2022 |
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 | 14 | 2018 |
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 | 13 | 2023 |
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 | 11 | 2021 |
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 | 11 | 2020 |
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 | 10 | 2023 |
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 | 10 | 2017 |
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 | 8 | 2022 |
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 | 7 | 2023 |
Agiliopadua/Fftool: XML Force Field Files, v1. 2.1 A Padua, K Goloviznina, Z Gong Zenodo: Geneve, Switzerland, 2021 | 7 | 2021 |
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 | 6 | 2021 |
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 | 5 | 2023 |