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Chemical Science
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June 3, 2022
Unravelling the pore network and gas dynamics in highly adaptive rubbery organic frameworks
Romain Dupuis, Mihail Barboiu, Guillaume Maurin
Accounts of Chemical Research
|
June 24, 2017
Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li<sup>+</sup>(aq)
Romain Dupuis, Magali Benoit, Mark E Tuckerman, et al.
The Journal of Chemical Physics
|
November 11, 2024
Collective molecular-scale carbonation path in aqueous solutions with sufficient structural sampling: From CO2 to CaCO3
Xinping Zhu, Romain Dupuis, Roland J-M Pellenq, et al.
The Journal of Chemical Physics
|
September 3, 2024
Pressure and temperature diagram of C60 from atomistic simulations
Karim Hakim, Romain Dupuis, Christophe Bichara, et al.
Scientific Reports
|
July 9, 2017
Quantum Nuclear Dynamics of Protons within Layered Hydroxides at High Pressure
Romain Dupuis, Jorge S Dolado, Magali Benoit, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 19, 2022
How chemical defects influence the charging of nanoporous carbon supercapacitors
Romain Dupuis, Pierre-Louis Valdenaire, Roland J-M Pellenq, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics
Ondrej Marsalek, Pei-Yang Chen, Romain Dupuis, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 7, 2022
Condensation and growth of amorphous aluminosilicate nanoparticles <i>via</i> an aggregation process
Romain Dupuis, Seung Ho Hahn, Adri C T van Duin, et al.
Angewandte Chemie (International Ed. in English)
|
December 3, 2025
High-Performance Squaramine Macrocycles as Molecular Sieves for Selective Halogen Separation and Aromatic Bromination
Soumaya Khlifi, Arnaud Chaix, Lukman O Alimi, et al.
Chemical Science
|
April 5, 2024
Machine learning potential for modelling H<sub>2</sub> adsorption/diffusion in MOFs with open metal sites
Shanping Liu, Romain Dupuis, Dong Fan, et al.
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of 2
Search research articles
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Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Chemical Science
|
June 3, 2022
Unravelling the pore network and gas dynamics in highly adaptive rubbery organic frameworks
Romain Dupuis, Mihail Barboiu, Guillaume Maurin
Accounts of Chemical Research
|
June 24, 2017
Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li<sup>+</sup>(aq)
Romain Dupuis, Magali Benoit, Mark E Tuckerman, et al.
The Journal of Chemical Physics
|
November 11, 2024
Collective molecular-scale carbonation path in aqueous solutions with sufficient structural sampling: From CO2 to CaCO3
Xinping Zhu, Romain Dupuis, Roland J-M Pellenq, et al.
The Journal of Chemical Physics
|
September 3, 2024
Pressure and temperature diagram of C60 from atomistic simulations
Karim Hakim, Romain Dupuis, Christophe Bichara, et al.
Scientific Reports
|
July 9, 2017
Quantum Nuclear Dynamics of Protons within Layered Hydroxides at High Pressure
Romain Dupuis, Jorge S Dolado, Magali Benoit, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 19, 2022
How chemical defects influence the charging of nanoporous carbon supercapacitors
Romain Dupuis, Pierre-Louis Valdenaire, Roland J-M Pellenq, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics
Ondrej Marsalek, Pei-Yang Chen, Romain Dupuis, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 7, 2022
Condensation and growth of amorphous aluminosilicate nanoparticles <i>via</i> an aggregation process
Romain Dupuis, Seung Ho Hahn, Adri C T van Duin, et al.
Angewandte Chemie (International Ed. in English)
|
December 3, 2025
High-Performance Squaramine Macrocycles as Molecular Sieves for Selective Halogen Separation and Aromatic Bromination
Soumaya Khlifi, Arnaud Chaix, Lukman O Alimi, et al.
Chemical Science
|
April 5, 2024
Machine learning potential for modelling H<sub>2</sub> adsorption/diffusion in MOFs with open metal sites
Shanping Liu, Romain Dupuis, Dong Fan, et al.
Page
of 2