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	Pour les 167 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 5 6 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Molecular Dynamics Simulations of the Temperature and Density Dependence of the Absorption Spectra of Hydrated Electron and Solvated Silver Atom in Water Anne Boutin , Riccardo Spezia , François-Xavier Coudert , Mehran Mostafavi Chemical Physics Letters, 2005, 409 (4-6), pp.219-223. ⟨10.1016/j.cplett.2005.05.012⟩ Article dans une revue hal-00199373v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermodynamic exploration of xenon/krypton separation based on a high-throughput screening Emmanuel Ren , François-Xavier Coudert Faraday Discussions, 2021, 231, pp.201-223. ⟨10.1039/D1FD00024A⟩ Article dans une revue hal-03189895v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydrothermal Breakdown of Flexible Metal–Organic Frameworks: A Study by First-Principles Molecular Dynamics Volker Haigis , François-Xavier Coudert , Rodolphe Vuilleumier , Anne Boutin , Alain Fuchs Journal of Physical Chemistry Letters, 2015, 6 (21), pp.4365-4370. ⟨10.1021/acs.jpclett.5b01926⟩ Article dans une revue hal-02116205v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Impacts of the Imidazolate Linker Substitution (CH3, Cl, or Br) on the Structural and Adsorptive Properties of ZIF-8 Gérald Chaplais , Guillaume Fraux , Jean-Louis Paillaud , Claire Marichal , Habiba Nouali , et al. Journal of Physical Chemistry C, 2018, 122 (47), pp.26945-26955. ⟨10.1021/acs.jpcc.8b08706⟩ Article dans une revue hal-02104808v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga) Volker Haigis , Yacine Belkhodja , François-Xavier Coudert , Rodolphe Vuilleumier , Anne Boutin Journal of Chemical Physics, 2014, 141 (6), pp.064703. ⟨10.1063/1.4891578⟩ Article dans une revue hal-02310202v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Responsive Metal–Organic Frameworks and Framework Materials: Under Pressure, Taking the Heat, in the Spotlight, with Friends François-Xavier Coudert Chemistry of Materials, 2015, 27 (6), pp.1905-1916. ⟨10.1021/acs.chemmater.5b00046⟩ Article dans une revue hal-02269625v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Water nanodroplets confined in zeolite pores François-Xavier Coudert , Fabien Cailliez , Rodolphe Vuilleumier , Alain Fuchs , Anne Boutin Faraday Discussions, 2009, 141, pp.377-398. ⟨10.1039/b804992k⟩ Article dans une revue istex hal-02116837v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Outils théoriques pour l'adsorption dans les matériaux nanoporeux cristallins François-Xavier Coudert Chimie théorique et/ou physique. Université Pierre et Marie Curie - Paris VI, 2013 HDR tel-00808487v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computation of Finite Temperature Mechanical Properties of Zeolitic Imidazolate Framework Glasses by Molecular Dynamics Nicolas Castel , François-Xavier Coudert Chemistry of Materials, 2023, 35 (10), pp.4038-4047. ⟨10.1021/acs.chemmater.3c00392⟩ Article dans une revue hal-04094425v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Rapid adsorption enthalpy surface sampling (RAESS) to characterize nanoporous materials Emmanuel Ren , François-Xavier Coudert Chemical Science, 2023, 14 (7), pp.1797-1807. ⟨10.1039/D2SC05810C⟩ Article dans une revue hal-03955453v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Novel Porous Polymorphs of Zinc Cyanide with Rich Thermal and Mechanical Behavior Fabien Trousselet , Anne Boutin , François-Xavier Coudert Chemistry of Materials, 2015, 27 (12), pp.4422-4430. ⟨10.1021/acs.chemmater.5b01366⟩ Article dans une revue hal-02310244v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Engineering micromechanics of soft porous crystals for negative gas adsorption Irene Senkovska , Paul Iacomic , Simon Krause , Jack D Evans , Volodymyr Bon , et al. Chemical Science, 2020, 11 (35), pp.9468-9479. ⟨10.1039/D0SC03727C⟩ Article dans une revue hal-02926752v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Water evaporation in silica colloidal deposits Jorge Peixinho , Grégory Lefèvre , François-Xavier Coudert , Olivier Hurisse Journal of Colloid and Interface Science, 2013, 408, pp.206-211. ⟨10.1016/j.jcis.2013.07.013⟩ Article dans une revue hal-02116876v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular Mechanism of Swing Effect in Zeolitic Imidazolate Framework ZIF-8: Continuous Deformation upon Adsorption François-Xavier Coudert ChemPhysChem, 2017, 18 (19), pp.2732-2738. ⟨10.1002/cphc.201700463⟩ Article dans une revue hal-02265103v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks Claire L Hobday , Ross J Marshall , Colin F Murphie , Jorge Sotelo , Tom Richards , et al. Angewandte Chemie International Edition, 2016, 55 (7), pp.2401-2405. ⟨10.1002/anie.201509352⟩ Article dans une revue hal-02269630v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Systematic exploration of the mechanical properties of 13 621 inorganic compounds Siwar Chibani , François-Xavier Coudert Chemical Science, 2019, 10 (37), pp.8589-8599. ⟨10.1039/C9SC01682A⟩ Article dans une revue hal-02307081v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Understanding adsorption-induced structural transitions in metal-organic frameworks: From the unit cell to the crystal Carles Triguero , François-Xavier Coudert , Anne Boutin , Alain Fuchs , Alexander V Neimark Journal of Chemical Physics, 2012, 137 (18), pp.184702. ⟨10.1063/1.4765369⟩ Article dans une revue hal-02310171v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		High-throughput computational screening of nanoporous materials in targeted applications Emmanuel Ren , Philippe Guilbaud , François-Xavier Coudert Digital Discovery, 2022, 1 (4), pp.355-374. ⟨10.1039/d2dd00018k⟩ Article dans une revue hal-03695878v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49 Irene Senkovska , Simon Krause , Jack D Evans , Volodymyr Bon , Irena Senkovska , et al. Faraday Discussions, 2021, 225, pp.168-183. ⟨10.1039/D0FD00013B⟩ Article dans une revue hal-02900808v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Prediction of flexibility of metal–organic frameworks CAU-13 and NOTT-300 by first principles molecular simulations Aurélie Ortiz , Anne Boutin , François-Xavier Coudert Chemical Communications, 2014, 50 (44), pp.5867. ⟨10.1039/c4cc00734d⟩ Article dans une revue hal-02310203v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Soft Porous Crystals: Extraordinary Responses to Stimulation François-Xavier Coudert Bulletin of Japan Society of Coordination Chemistry, 2019, 73, pp.15-23. ⟨10.4019/bjscc.73.15⟩ Article dans une revue hal-02264112v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Macroscopic Simulation of Deformation in Soft Microporous Composites Jack Evans , François-Xavier Coudert Journal of Physical Chemistry Letters, 2017, 8 (7), pp.1578-1584. ⟨10.1021/acs.jpclett.7b00397⟩ Article dans une revue hal-02145005v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular simulation of framework materials François-Xavier Coudert , Tina Düren Molecular Simulation, 2015, 41 (16-17), pp.1309-1310. ⟨10.1080/08927022.2015.1068028⟩ Article dans une revue hal-02310243v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stress-Based Model for the Breathing of Metal−Organic Frameworks Alexander V Neimark , François-Xavier Coudert , Anne Boutin , Alain H. Fuchs Journal of Physical Chemistry Letters, 2009, 1 (1), pp.445-449. ⟨10.1021/jz9003087⟩ Article dans une revue hal-00548069v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A re-examination of claims of aminoferrocene-graphene-based molecular magnets Gayathri Athavan , François-Xavier Coudert , Robin B Bedford Applied Physics Letters, 2024, 124 (11), pp.111903. ⟨10.1063/5.0202197⟩ Article dans une revue hal-04501138v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computational characterization and prediction of metal–organic framework properties François-Xavier Coudert , Alain Fuchs Coordination Chemistry Reviews, 2016, 307, pp.211-236. ⟨10.1016/j.ccr.2015.08.001⟩ Article dans une revue hal-02310161v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Metal-organic framework crystal-glass composites Jingwei Hou , Christopher W Ashling , Sean M Collins , Andraž Krajnc , Chao Zhou , et al. Nature Communications, 2019, 10, pp.2580. ⟨10.1038/s41467-019-10470-z⟩ Article dans une revue hal-02264091v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Breathing transitions in MIL-53(Al) metal-organic framework upon xenon adsorption. Anne Boutin , Marie-Anne Springuel-Huet , Andrei Nossov , Antoine Gedeon , Thierry Loiseau , et al. Angewandte Chemie International Edition, 2009, 48 (44), pp.8314-7. ⟨10.1002/anie.200903153⟩ Article dans une revue istex hal-00548070v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework Matthew Cliffe , Joshua Hill , Claire Murray , François-Xavier Coudert , Andrew Goodwin Physical Chemistry Chemical Physics, 2015, 17 (17), pp.11586-11592. ⟨10.1039/c5cp01307k⟩ Article dans une revue hal-02310201v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structure and Dynamics of Solvated Polymers near a Silica Surface: On the Different Roles Played by Solvent Elsa Perrin , Martin Schoen , François-Xavier Coudert , Anne Boutin Journal of Physical Chemistry B, 2018, 122 (16), pp.4573-4582. ⟨10.1021/acs.jpcb.7b11753⟩ Article dans une revue hal-02104819v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Molecular Dynamics Simulations of the Temperature and Density Dependence of the Absorption Spectra of Hydrated Electron and Solvated Silver Atom in Water

Thermodynamic exploration of xenon/krypton separation based on a high-throughput screening

Hydrothermal Breakdown of Flexible Metal–Organic Frameworks: A Study by First-Principles Molecular Dynamics

Impacts of the Imidazolate Linker Substitution (CH3, Cl, or Br) on the Structural and Adsorptive Properties of ZIF-8

Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)

Responsive Metal–Organic Frameworks and Framework Materials: Under Pressure, Taking the Heat, in the Spotlight, with Friends

Water nanodroplets confined in zeolite pores

Outils théoriques pour l'adsorption dans les matériaux nanoporeux cristallins

Computation of Finite Temperature Mechanical Properties of Zeolitic Imidazolate Framework Glasses by Molecular Dynamics

Rapid adsorption enthalpy surface sampling (RAESS) to characterize nanoporous materials

Novel Porous Polymorphs of Zinc Cyanide with Rich Thermal and Mechanical Behavior

Engineering micromechanics of soft porous crystals for negative gas adsorption

Water evaporation in silica colloidal deposits

Molecular Mechanism of Swing Effect in Zeolitic Imidazolate Framework ZIF-8: Continuous Deformation upon Adsorption

A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks

Systematic exploration of the mechanical properties of 13 621 inorganic compounds

Understanding adsorption-induced structural transitions in metal-organic frameworks: From the unit cell to the crystal

High-throughput computational screening of nanoporous materials in targeted applications

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

Prediction of flexibility of metal–organic frameworks CAU-13 and NOTT-300 by first principles molecular simulations

Soft Porous Crystals: Extraordinary Responses to Stimulation

Macroscopic Simulation of Deformation in Soft Microporous Composites

Molecular simulation of framework materials

Stress-Based Model for the Breathing of Metal−Organic Frameworks

A re-examination of claims of aminoferrocene-graphene-based molecular magnets

Computational characterization and prediction of metal–organic framework properties

Metal-organic framework crystal-glass composites

Breathing transitions in MIL-53(Al) metal-organic framework upon xenon adsorption.

Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework

Structure and Dynamics of Solvated Polymers near a Silica Surface: On the Different Roles Played by Solvent