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ChemSusChem, ISSN 1864-5631, 02/2015, Volume 8, Issue 4, pp. 603 - 608
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2015, Volume 54, Issue 22, pp. 6447 - 6451
Desolvated zeolitic imidazolate framework ZIF‐4(Zn) undergoes a discontinuous porous to dense phase transition on cooling through 140 K, with a 23 %... 
phase transitions | zeolitic imidazolate frameworks | metal–organic frameworks | imidazolates | porosity | Imidazolates | Zeolitic imidazolate frameworks | Porosity | Metal-organic frameworks | Phase transitions | metal-organic frameworks | PRESSURE | STABILITY | GUEST | METAL-ORGANIC FRAMEWORK | SEPARATION | CHEMISTRY, MULTIDISCIPLINARY | ZINC | X rays | Diffraction
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2008, Volume 130, Issue 43, pp. 14294 - 14302
We provide a general thermodynamic framework for the understanding of guest-induced structural transitions in hybrid organic−inorganic materials. The method is... 
MONTE-CARLO | MOLECULAR SIMULATION | DESIGN | METHANE | POROUS COORDINATION-POLYMER | SORPTION | FLEXIBILITY | CO2 ADSORPTION | CARBON-DIOXIDE | HYDROGEN STORAGE | CHEMISTRY, MULTIDISCIPLINARY | Thermal properties | Thermodynamics | Adsorption | Analysis | Organometallic compounds | Chemical properties | Research | Structure | Cobalt | or physical chemistry | Material chemistry | Chemical Sciences | Theoretical and
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 10/2008, Volume 47, Issue 44, pp. 8487 - 8491
Use the Force: A force field for the MIL‐53(Cr) framework was derived and validated by molecular dynamics simulations. This approach allows the “breathing” of... 
carbon dioxide | metal–organic frameworks | molecular dynamics | molecular modeling | Molecular dynamics | Metal-organic frameworks | Molecular modeling | Carbon dioxide | MICROCALORIMETRY | SORPTION | ENERGETICS | CHEMISTRY, MULTIDISCIPLINARY | LIGHT GASES | metal-organic frameworks | HYDROGEN | METAL-ORGANIC-FRAMEWORK | SOLIDS | SITES | FORCE-FIELD | DIFFUSION | Physics | Chemical Physics
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 12/2006, Volume 45, Issue 48, pp. 8227 - 8231
Large hydrogen‐storage capacity at liquid‐nitrogen temperature is exhibited by the metal–organic framework MIL‐101. In the zeotype architecture of this porous... 
chromium | hydrogen | physisorption | carboxylate ligands | mesoporous materials | Carboxylate ligands | Chromium | Mesoporous materials | Hydrogen | Physisorption | HIGH H-2 ADSORPTION | SORPTION | SITES | CHEMISTRY, MULTIDISCIPLINARY | SATURATION
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 11/2004, Volume 43, Issue 46, pp. 6296 - 6301
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 04/2005, Volume 38, Issue 4, pp. 217 - 225
In the domain of porous solids with inorganic or hybrid frameworks, the combination of mastered chemistry and of computer simulations pushes forward the limits... 
METAL-ORGANIC FRAMEWORKS | COMPUTATIONAL DESIGN | BUILDING UNITS | SOLIDS | CHEMISTRY | PHOSPHATES | CHANNELS | GLUTARATE | CHEMISTRY, MULTIDISCIPLINARY | RATIONAL DESIGN | MOLECULES | Thin films, Multilayered | Computer-generated environments | Research | Computer simulation | Porous materials | Analysis
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 07/2010, Volume 10, Issue 7, pp. 2839 - 2841
Based on computational studies, we propose new metal−organic framework materials, in which the bridging ligands have been functionalized by different... 
HYDROGEN | THERMODYNAMICS | METHANE | METAL-ORGANIC FRAMEWORKS | MIL-53 | MATERIALS SCIENCE, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | TRANSITIONS | ADSORPTION | CARBON-DIOXIDE | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Nature Chemistry, ISSN 1755-4330, 12/2016, Volume 9, Issue 1, pp. 6 - 8
Journal Article
Physical Review Letters, ISSN 0031-9007, 02/2012, Volume 108, Issue 9, p. 095502
Using Brillouin scattering, we measured the single-crystal elastic constants (C-ij's) of a prototypical metal-organic framework (MOF): zeolitic imidazolate... 
POLYMERS | DESIGN | PHYSICS, MULTIDISCIPLINARY | AB-INITIO | ZEOLITES | CRYSTAL | ELASTIC-CONSTANTS | MECHANICAL-PROPERTIES
Journal Article
Journal Article