Explaining the mechanical mechanisms of zeolitic metal–organic frameworks: revealing auxeticity and anomalous elasticity
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January 2016 |
Probing the dynamics of instability in zeolitic materials
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August 2004 |
Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening
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May 2013 |
Improved mechanical stability of HKUST-1 in confined nanospace
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January 2015 |
Identifying the Role of Terahertz Vibrations in Metal-Organic Frameworks: From Gate-Opening Phenomenon to Shear-Driven Structural Destabilization
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November 2014 |
Quantum-mechanical condensed matter simulations with CRYSTAL
- Dovesi, Roberto; Erba, Alessandro; Orlando, Roberto
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Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 4
https://doi.org/10.1002/wcms.1360
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March 2018 |
Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations
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June 2011 |
Porous metal–organic-framework nanoscale carriers as a potential platform for drug delivery and imaging
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December 2009 |
Exceptionally Low Shear Modulus in a Prototypical Imidazole-Based Metal-Organic Framework
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February 2012 |
Identifying Vibrations That Destabilize Crystals and Characterize the Glassy State
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May 2005 |
Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs
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December 2014 |
Nuclear-relaxed elastic and piezoelectric constants of materials: Computational aspects of two quantum-mechanical approaches
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December 2016 |
Spin localization, magnetic ordering, and electronic properties of strongly correlated Ln 2 O 3 sesquioxides (Ln=La, Ce, Pr, Nd)
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June 2018 |
Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework
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June 2017 |
High-Pressure Chemistry of a Zeolitic Imidazolate Framework Compound in the Presence of Different Fluids
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September 2016 |
Sorption-Induced Structural Transition of Zeolitic Imidazolate Framework-8: A Hybrid Molecular Simulation Study
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February 2013 |
Guest dependent Brillouin and Raman scattering studies of zeolitic imidazolate framework-8 (ZIF-8) under external pressure
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April 2016 |
Discovering connections between terahertz vibrations and elasticity underpinning the collective dynamics of the HKUST-1 metal–organic framework
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January 2016 |
Isoreticular zirconium-based metal–organic frameworks: discovering mechanical trends and elastic anomalies controlling chemical structure stability
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January 2016 |
The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa
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September 2009 |
Ball-Milling-Induced Amorphization of Zeolitic Imidazolate Frameworks (ZIFs) for the Irreversible Trapping of Iodine
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April 2013 |
Mesoporous Materials for Drug Delivery
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October 2007 |
Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)
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January 2011 |
Ab initio study of piezoelectricity and spontaneous polarization in ZnO
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October 1994 |
Methane storage in flexible metal–organic frameworks with intrinsic thermal management
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October 2015 |
Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area
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November 2009 |
The rheology of collapsing zeolites amorphized by temperature and pressure
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August 2003 |
A sol–gel monolithic metal–organic framework with enhanced methane uptake
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December 2017 |
Nanoporous metal organic framework materials for smart applications
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April 2014 |
The internal-strain tensor of crystals for nuclear-relaxed elastic and piezoelectric constants: on the full exploitation of its symmetry features
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January 2016 |
Tracking thermal-induced amorphization of a zeolitic imidazolate framework via synchrotron in situ far-infrared spectroscopy
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January 2017 |
Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering
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January 2016 |
ElAM: A computer program for the analysis and representation of anisotropic elastic properties
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December 2010 |
Optimized Metal–Organic-Framework Nanospheres for Drug Delivery: Evaluation of Small-Molecule Encapsulation
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February 2014 |
AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids
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July 2015 |
Metal−Organic Frameworks as Sensors: A ZIF-8 Based Fabry−Pérot Device as a Selective Sensor for Chemical Vapors and Gases
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June 2010 |
Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code
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September 2017 |
High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets
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March 2014 |
Mechanical properties of zeolitic metal–organic frameworks: mechanically flexible topologies and stabilization against structural collapse
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January 2015 |
Symmetric and Asymmetric Zeolitic Imidazolate Frameworks (ZIFs)/Polybenzimidazole (PBI) Nanocomposite Membranes for Hydrogen Purification at High Temperatures
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June 2012 |
First-Principles Study of Piezoelectricity in PbTiO 3
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May 1998 |
Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory
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July 2005 |
Pressure-Induced Amorphization and Porosity Modification in a Metal−Organic Framework
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December 2009 |
Probing the Mechanochemistry of Metal–Organic Frameworks with Low-Frequency Vibrational Spectroscopy
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November 2018 |