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Theoretical and Computational Chemistry

Working Paper

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

Emmanuel Ren, François-Xavier Coudert

Version 1 posted 09 March 2021

350

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Inorganic Chemistry

Working Paper

Pressure Promoted Low-Temperature Melting of Metal-Organic Frameworks

Remo N. Widmer, Giulio I. Lampronti, Simone Anzellini, Romain Gaillac, Stefan Farsang, Chao Zhou, Ana M. Belenguer, Hannah Palmer, Annette K. Kleppe, Michael T. Wharmby, Simon A. T. Redfern, François-Xavier Coudert, Simon G. MacLeod, Thomas Bennett

Version 3 posted 28 June 2018

1,188

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1

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Materials Science

Working Paper

Hybrid Inorganic-Organic Perovskite Glasses

Bikash Kumar Shaw, Ashlea R. Hughes, Maxime Ducamp, David A. Keen, François-Xavier Coudert, Frederic Blanc, Thomas Bennett

Version 1 posted 10 March 2020

1,436

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Modelling of framework materials at multiple scales: current practices and open questions

Guillaume Fraux, Siwar Chibani, François-Xavier Coudert

Version 3 posted 18 February 2019

1,464

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Materials Science

Working Paper

Metal-Organic Framework Crystal-Glass Composites

Jingwei Hou, Christopher W. Ashling, Sean M. Collins, Andraž Krajnc, Chao Zhou, Louis Longley, Duncan Johnstone, Philip A. Chater, Shichun Li, François-Xavier Coudert, David A. Keen, Paul A. Midgley, Gregor Mali, Vicki Chen, Thomas Bennett

Version 2 posted 18 April 2019

1,124

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Theoretical and Computational Chemistry

Working Paper

Carbon Species Solvated in Molten Carbonate Electrolyser Cell from First-Principles Simulations

Antoine Carof, François-Xavier Coudert, Dario Corradini, Dominika Lesnicki, elsa desamele, Rodolphe Vuilleumier

Version 2 posted 14 September 2020

784

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Materials Science

Working Paper

Systematic Exploration of the Mechanical Properties of 13,621 Inorganic Compounds

Siwar Chibani, François-Xavier Coudert

Version 2 posted 22 July 2019

900

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Theoretical and Computational Chemistry

Working Paper

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Laura Scalfi, Guillaume Fraux, Anne Boutin, François-Xavier Coudert

Version 1 posted 21 May 2018

534

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Physical Chemistry

Working Paper

The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, François-Xavier Coudert, Daniel D. Többens, Dirk Wallacher, Nico Grimm, Stefan Kaskel

Version 1 posted 28 January 2020

526

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1

Citations

Materials Science

Working Paper

Nanoscale Metamaterials: Meta-MOFs and Framework Materials with Anomalous Behavior

François-Xavier Coudert, Jack D. Evans

Version 2 posted 11 February 2019

1,647

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45 results in François-Xavier Coudert in Authors: François-Xavier Coudert

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

Pressure Promoted Low-Temperature Melting of Metal-Organic Frameworks

Hybrid Inorganic-Organic Perovskite Glasses

Modelling of framework materials at multiple scales: current practices and open questions

Metal-Organic Framework Crystal-Glass Composites

Carbon Species Solvated in Molten Carbonate Electrolyser Cell from First-Principles Simulations

Systematic Exploration of the Mechanical Properties of 13,621 Inorganic Compounds

Structure and Dynamics of Water Confined in Imogolite Nanotubes

The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49

Nanoscale Metamaterials: Meta-MOFs and Framework Materials with Anomalous Behavior

45 results in Authors: François-Xavier Coudert