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Salles, Fabrice, Ghoufi, Aziz, Maurin, Guillaume, Bell, Robert G., Mellot-Draznieks, Caroline, Férey, Gérard (2008) Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption. Angewandte Chemie International Edition, 47 (44). 8487-8491 doi:10.1002/anie.200803067

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Reference TypeJournal (article/letter/editorial)
TitleMolecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption
JournalAngewandte Chemie International Edition
AuthorsSalles, FabriceAuthor
Ghoufi, AzizAuthor
Maurin, GuillaumeAuthor
Bell, Robert G.Author
Mellot-Draznieks, CarolineAuthor
Férey, GérardAuthor
Year2008 (October 20)Volume47
Issue44
PublisherWiley
DOIdoi:10.1002/anie.200803067Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID8587119Long-form Identifiermindat:1:5:8587119:9
GUID0
Full ReferenceSalles, Fabrice, Ghoufi, Aziz, Maurin, Guillaume, Bell, Robert G., Mellot-Draznieks, Caroline, Férey, Gérard (2008) Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption. Angewandte Chemie International Edition, 47 (44). 8487-8491 doi:10.1002/anie.200803067
Plain TextSalles, Fabrice, Ghoufi, Aziz, Maurin, Guillaume, Bell, Robert G., Mellot-Draznieks, Caroline, Férey, Gérard (2008) Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption. Angewandte Chemie International Edition, 47 (44). 8487-8491 doi:10.1002/anie.200803067
In(2008, October) Angewandte Chemie International Edition Vol. 47 (44) Wiley

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Salles, Fabrice, Ghoufi, Aziz, Maurin, Guillaume, Bell, Robert G., Mellot-Draznieks, Caroline, Férey, Gérard (2008) Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2Adsorption. Angewandte Chemie, 120 (44). 8615-8619 doi:10.1002/ange.200803067
Rosenbach, Nilton, Jobic, Hervé, Ghoufi, Aziz, Salles, Fabrice, Maurin, Guillaume, Bourrelly, Sandrine, Llewellyn, Philip L., Devic, Thomas, Serre, Christian, Férey, Gérard (2008) Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr). Angewandte Chemie International Edition, 47 (35). 6611-6615 doi:10.1002/anie.200801748
Salles, Fabrice, Jobic, Hervé, Ghoufi, Aziz, Llewellyn, Philip L., Serre, Christian, Bourrelly, Sandrine, Férey, Gérard, Maurin, Guillaume (2009) Transport Diffusivity of CO2 in the Highly Flexible Metal-Organic Framework MIL-53(Cr). Angewandte Chemie International Edition, 48 (44). 8335-8339 doi:10.1002/anie.200902998
Rosenbach, Nilton, Jobic, Hervé, Ghoufi, Aziz, Salles, Fabrice, Maurin, Guillaume, Bourrelly, Sandrine, Llewellyn, Philip L., Devic, Thomas, Serre, Christian, Férey, Gérard (2008) Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr). Angewandte Chemie, 120 (35). 6713-6717 doi:10.1002/ange.200801748
Salles, Fabrice, Jobic, Hervé, Ghoufi, Aziz, Llewellyn, Philip L., Serre, Christian, Bourrelly, Sandrine, Férey, Gérard, Maurin, Guillaume (2009) Transport Diffusivity of CO2 in the Highly Flexible Metal-Organic Framework MIL-53(Cr). Angewandte Chemie, 121 (44). 8485-8489 doi:10.1002/ange.200902998
Mellot-Draznieks, Caroline, Dutour, Julien, Férey, Gérard (2004) Hybrid Organic-Inorganic Frameworks: Routes for Computational Design and Structure Prediction. Angewandte Chemie International Edition, 43 (46). 6290-6296 doi:10.1002/anie.200454251
Hamon, Lomig, Leclerc, Hervé, Ghoufi, Aziz, Oliviero, Laetitia, Travert, Arnaud, Lavalley, Jean-Claude, Devic, Thomas, Serre, Christian, Férey, Gérard, De Weireld, Guy, Vimont, Alexandre, Maurin, Guillaume (2011) Molecular Insight into the Adsorption of H2S in the Flexible MIL-53(Cr) and Rigid MIL-47(V) MOFs: Infrared Spectroscopy Combined to Molecular Simulations. The Journal of Physical Chemistry C, 115 (5). 2047-2056 doi:10.1021/jp1092724
Latroche, Michel, Surblé, Suzy, Serre, Christian, Mellot-Draznieks, Caroline, Llewellyn, Philip L., Lee, Jin-Ho, Chang, Jong-San, Jhung, Sung Hwa, Férey, Gérard (2006) Hydrogen Storage in the Giant-Pore Metal–Organic Frameworks MIL-100 and MIL-101. Angewandte Chemie International Edition, 45 (48). 8227-8231 doi:10.1002/anie.200600105
Kolokolov, Daniil I., Jobic, Hervé, Stepanov, Alexander G., Guillerm, Vincent, Devic, Thomas, Serre, Christian, Férey, Gérard (2010) Dynamics of Benzene Rings in MIL-53(Cr) and MIL-47(V) Frameworks Studied by 2H NMR Spectroscopy. Angewandte Chemie International Edition, 49 (28). 4791-4794 doi:10.1002/anie.201001238
Yot, Pascal G., Ma, Qintian, Haines, Julien, Yang, Qingyuan, Ghoufi, Aziz, Devic, Thomas, Serre, Christian, Dmitriev, Vladimir, Férey, Gérard, Zhong, Chongli, Maurin, Guillaume (2012) Large breathing of the MOF MIL-47(VIV) under mechanical pressure: a joint experimental–modelling exploration. Chemical Science, 3. 1100pp. doi:10.1039/c2sc00745b
Férey, Gérard, Serre, Christian, Mellot-Draznieks, Caroline, Millange, Franck, Surblé, Suzy, Dutour, Julien, Margiolaki, Irène (2004) A Hybrid Solid with Giant Pores Prepared by a Combination of Targeted Chemistry, Simulation, and Powder Diffraction. Angewandte Chemie International Edition, 43 (46). 6296-6301 doi:10.1002/anie.200460592
 
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