Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)
about
X-ray absorption spectroscopies: useful tools to understand metallorganic frameworks structure and reactivity.Recent developments in solid-state NMR spectroscopy of crystalline microporous materials.An updated roadmap for the integration of metal-organic frameworks with electronic devices and chemical sensors.Combining solid-state NMR spectroscopy with first-principles calculations - a guide to NMR crystallography.Challenges in first-principles NPT molecular dynamics of soft porous crystals: a case study on MIL-53(Ga).Combined experimental and computational NMR study of crystalline and amorphous zeolitic imidazolate frameworks.Extreme Flexibility in a Zeolitic Imidazolate Framework: Porous to Dense Phase Transition in Desolvated ZIF-4.QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles.Stability vs. reactivity: understanding the adsorption properties of Ni3(BTP)2 by experimental and computational methods.NMR study of small molecule adsorption in MOF-74-Mg.Metal-organic frameworks with wine-rack motif: what determines their flexibility and elastic properties?Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules.Solid-State NMR Spectroscopy of Metal–Organic Framework Compounds (MOFs).Efficient Construction of Free Energy Profiles of Breathing Metal-Organic Frameworks Using Advanced Molecular Dynamics Simulations.The effect of high pressure on MOF-5: guest-induced modification of pore size and content at high pressure.Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.Molecular Mechanism of Swing Effect in Zeolitic Imidazolate Framework ZIF-8: Continuous Deformation upon Adsorption.Calculating NMR parameters in aluminophosphates: evaluation of dispersion correction schemes.Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach.Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study.Van der Waals forces in the perfluorinated metal-organic framework zinc 1,2-bis(4-pyridyl)ethane tetrafluoroterephthalate.Joint Experimental and Computational Investigation of the Flexibility of a Diacetylene-Based Mixed-Linker MOF: Revealing the Existence of Two Low-Temperature Phase Transitions and the Presence of Colossal Positive and Giant Negative Thermal ExpansioSilver(I), gold(I) and palladium(II) complexes of a NHC-pincer ligand with an aminotriazine core: a comparison with pyridyl analogues.Synthesis, structure and adsorption properties of lanthanide-organic frameworks with pyridine-3,5-bis(phenyl-4-carboxylate).Achieving a rare breathing behavior in a polycatenated 2D to 3D net through a pillar-ligand extension strategy.Pore closure in zeolitic imidazolate frameworks under mechanical pressure.Thermodynamics of the Flexible Metal-Organic Framework Material MIL-53(Cr) From First Principles.Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal-organic frameworks.Role of hydrocarbons in pore expansion and contraction of a flexible metal–organic frameworkProtocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic FrameworksConformer interconversion in a switchable porous organic cageLarge Self-Assembled Chiral Organic Cages: Synthesis, Structure, and Shape Persistence
P2860
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P2860
Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)
description
article
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована у вересні 2010
@uk
ലേഖനം
@ml
name
Flexibility in a Metal-Organic ...... ces: The Bistability of MIL-53
@nl
Flexibility in a Metal-Organic ...... The Bistability of MIL-53(Al)
@en
type
label
Flexibility in a Metal-Organic ...... ces: The Bistability of MIL-53
@nl
Flexibility in a Metal-Organic ...... The Bistability of MIL-53(Al)
@en
prefLabel
Flexibility in a Metal-Organic ...... ces: The Bistability of MIL-53
@nl
Flexibility in a Metal-Organic ...... The Bistability of MIL-53(Al)
@en
P2093
P50
P356
P1476
Flexibility in a metal-organic ...... the bistability of MIL-53(Al)
@en
P2093
Ben Slater
Caroline Mellot-Draznieks
Furio Corà
Guillermo Román-Pérez
P304
P356
10.1002/ANIE.201002413
P407
P577
2010-10-01T00:00:00Z