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Evans, Jack D., Fraux, Guillaume, Gaillac, Romain, Kohen, Daniela, Trousselet, Fabien, Vanson, Jean-Mathieu, Coudert, François-Xavier (2017) Computational Chemistry Methods for Nanoporous Materials. Chemistry of Materials, 29. 199-212 doi:10.1021/acs.chemmater.6b02994

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Reference TypeJournal (article/letter/editorial)
TitleComputational Chemistry Methods for Nanoporous Materials
JournalChemistry of Materials
AuthorsEvans, Jack D.Author
Fraux, GuillaumeAuthor
Gaillac, RomainAuthor
Kohen, DanielaAuthor
Trousselet, FabienAuthor
Vanson, Jean-MathieuAuthor
Coudert, François-XavierAuthor
Year2017 (January 10)Volume29
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.chemmater.6b02994Search in ResearchGate
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Mindat Ref. ID4310275Long-form Identifiermindat:1:5:4310275:2
GUID0
Full ReferenceEvans, Jack D., Fraux, Guillaume, Gaillac, Romain, Kohen, Daniela, Trousselet, Fabien, Vanson, Jean-Mathieu, Coudert, François-Xavier (2017) Computational Chemistry Methods for Nanoporous Materials. Chemistry of Materials, 29. 199-212 doi:10.1021/acs.chemmater.6b02994
Plain TextEvans, Jack D., Fraux, Guillaume, Gaillac, Romain, Kohen, Daniela, Trousselet, Fabien, Vanson, Jean-Mathieu, Coudert, François-Xavier (2017) Computational Chemistry Methods for Nanoporous Materials. Chemistry of Materials, 29. 199-212 doi:10.1021/acs.chemmater.6b02994
In(2017) Chemistry of Materials Vol. 29. American Chemical Society (ACS)

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Coudert, François-Xavier, Kohen, Daniela (2017) Molecular Insight into CO2 “Trapdoor” Adsorption in Zeolite Na-RHO. Chemistry of Materials, 29. 2724-2730 doi:10.1021/acs.chemmater.6b03837
Evans, Jack D., Coudert, François-Xavier (2017) Predicting the Mechanical Properties of Zeolite Frameworks by Machine Learning. Chemistry of Materials, 29. 7833-7839 doi:10.1021/acs.chemmater.7b02532
Coudert, François-Xavier (2017) Reproducible Research in Computational Chemistry of Materials. Chemistry of Materials, 29. 2615-2617 doi:10.1021/acs.chemmater.7b00799
Gaillac, Romain, Chibani, Siwar, Coudert, François-Xavier (2020) Speeding Up Discovery of Auxetic Zeolite Frameworks by Machine Learning. Chemistry of Materials, 32. 2653-2663 doi:10.1021/acs.chemmater.0c00434
Gaillac, Romain, Pullumbi, Pluton, Bennett, Thomas D., Coudert, François-Xavier (2020) Structure of Metal–Organic Framework Glasses by Ab Initio Molecular Dynamics. Chemistry of Materials, 32 (18) 8004-8011 doi:10.1021/acs.chemmater.0c02950
Trousselet, Fabien, Boutin, Anne, Coudert, François-Xavier (2015) Novel Porous Polymorphs of Zinc Cyanide with Rich Thermal and Mechanical Behavior. Chemistry of Materials, 27. 4422-4430 doi:10.1021/acs.chemmater.5b01366
Fraux, Guillaume, Coudert, François-Xavier (2017) Recent advances in the computational chemistry of soft porous crystals. Chemical Communications, 53 (53). 7211-7221 doi:10.1039/c7cc03306k
Lee, Seok J., Doussot, Celine, Baux, Anthony, Liu, Lujia, Jameson, Geoffrey B., Richardson, Christopher, Pak, Joshua J., Trousselet, Fabien, Coudert, François-Xavier, Telfer, Shane G. (2016) Multicomponent Metal–Organic Frameworks as Defect-Tolerant Materials. Chemistry of Materials, 28. 368-375 doi:10.1021/acs.chemmater.5b04306
Vanson, Jean-Mathieu, Coudert, François-Xavier, Klotz, Michaela, Boutin, Anne (2017) Kinetic Accessibility of Porous Material Adsorption Sites Studied through the Lattice Boltzmann Method. Langmuir, 33. 1405-1411 doi:10.1021/acs.langmuir.6b04472
Gaillac, Romain, Pullumbi, Pluton, Beyer, Kevin A., Chapman, Karena W., Keen, David A., Bennett, Thomas D., Coudert, François-Xavier (2017) Liquid metal–organic frameworks. Nature Materials, 16 (11). 1149-1154 doi:10.1038/nmat4998
Trousselet, Fabien, Archereau, Aurélien, Boutin, Anne, Coudert, François-Xavier (2016) Heterometallic Metal–Organic Frameworks of MOF-5 and UiO-66 Families: Insight from Computational Chemistry. The Journal of Physical Chemistry C, 120 (43). 24885-24894 doi:10.1021/acs.jpcc.6b08594
 
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