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Theoretical and Computational Chemistry

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Ambroise De Izarra

3 results in Authors: Ambroise De Izarra

Theoretical and Computational Chemistry

Molecular Simulation of the Impact of Defects on Electrolyte Intrusion in Zeolites

Ambroise de Izarra, François-Xavier Coudert, Alain Fuchs, Anne Boutin

Version 1 posted 01 November 2023

183

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Theoretical and Computational Chemistry

Predictive Thermodynamic Model for Intrusion of Electrolyte Aqueous Solutions in Nanoporous Materials

Ambroise de Izarra, François-Xavier Coudert, Alain H. Fuchs, Anne Boutin

Version 2 posted 06 November 2023

244

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1

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Theoretical and Computational Chemistry

Alchemical osmostat for MC simulation: Sampling aqueous electrolyte solution in open systems

Ambroise De Izarra, François-Xavier Coudert, Alain Fuchs, Anne Boutin

Version 2 posted 19 December 2022

313

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