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polarisable force field

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3 results in Keywords: polarisable force field

Theoretical and Computational Chemistry

A Transferable, Polarisable Force Field for Ionic Liquids

Kateryna Goloviznina, José N. Canongia Lopes, Margarida Costa Gomes, Agilio Padua

Version 2 posted 10 July 2019

2,450

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Physical Chemistry

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

Martin Otero-Lema, Kateryna Goloviznina, Luis Miguel Varela, Mathieu Salanne, Hadrian Montes-Campos, ALESSANDRA SERVA

Version 1 posted 16 January 2025

250

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Physical Chemistry

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

Eduards Bakis, Kateryna Goloviznina, Inês Vaz, Diana Sloboda, Valda Valkovska, Igors Klimenkovs, Agilio Padua, Margarida Costa Gomes, Daniels Hazens

Version 1 posted 29 March 2022

223

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