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New High-Performance Porous Ionic Liquids for Low Pressure CO2 Capture

Jocasta Avila, Luiz Fernando Lepre, Catherine Santini, Martin Tiano, Sandrine Denis-Quanquin, Kai Chung Szeto, Agilio Padua, Margarida Costa Gomes

Version 1 posted 17 December 2020

599

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Theoretical and Computational Chemistry

Working Paper

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

2,362

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Physical Chemistry

Working Paper

Defying Decomposition: The Curious Case of Choline Chloride

Adriaan van den Bruinhorst, Jocasta Avila, Martin Rosenthal, Ange Pellegrino, Manfred Burghammer, Margarida Costa Gomes

Version 3 posted 21 September 2023

324

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Physical Chemistry

Working Paper

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

139

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Theoretical and Computational Chemistry

Working Paper

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

Kateryna Goloviznina, Eduards Bakis, Frederik Philippi, Nicolas Scaglione, Toms Rekis, Laura Laimina, Margarida Costa Gomes, Agilio Padua

Version 1 posted 10 October 2023

144

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Theoretical and Computational Chemistry

Working Paper

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

Agilio Padua, Kateryna Goloviznina, Margarida Costa Gomes, Zheng Gong

Version 4 posted 22 January 2021

1,283

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Chemical Engineering and Industrial Chemistry

Working Paper

Mixing enthalpies of fluorinated precursors for textile industry in ionic liquids

Guillaume Simon, Jocasta Avila, Agilio Padua, Margarida Costa Gomes

Version 1 posted 06 March 2024

90

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Theoretical and Computational Chemistry

Working Paper

A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

Sachini P. Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia C. G. Weiss, Chris F. McConville, Agilio Padua, David A. Winkler, Margarida Costa Gomes, Tamar L. Greaves, Quinn A. Besford, Tu C. Le, Andrew J. Christofferson

Version 1 posted 06 July 2021

3,528

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8 results in Margarida Costa Gomes in Authors: Margarida Costa Gomes

New High-Performance Porous Ionic Liquids for Low Pressure CO2 Capture

A Transferable, Polarisable Force Field for Ionic Liquids

Defying Decomposition: The Curious Case of Choline Chloride

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

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

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

Mixing enthalpies of fluorinated precursors for textile industry in ionic liquids

A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

8 results in Authors: Margarida Costa Gomes