Related references
Note: Only part of the references are listed.Noncovalent Interaction Analysis in Fluctuating Environments
Pan Wu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Large-Scale Quantitative Structure-Property Relationship (QSPR) Analysis of Methane Storage in Metal-Organic Frameworks
Michael Fernandez et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Thermochemistry of Zeolitic Imidazolate Frameworks of Varying Porosity
James T. Hughes et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods
D. A. Saldana et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2013)
Rationalization of the entrapping of bioactive molecules into a series of functionalized porous zirconium terephthalate MOFs
D. Cunha et al.
JOURNAL OF MATERIALS CHEMISTRY B (2013)
Metal Azolate Frameworks: From Crystal Engineering to Functional Materials
Jie-Peng Zhang et al.
CHEMICAL REVIEWS (2012)
Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities
Gabriele Saleh et al.
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks
Raimondas Galvelis et al.
CRYSTENGCOMM (2012)
Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions
Natacha Gillet et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
A quantitative structure activity relationship approach to probe the influence of the functionalization on the drug encapsulation of porous metal-organic frameworks
C. Gaudin et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2012)
Pulse Gas Chromatographic Study of Adsorption of Substituted Aromatics and Heterocyclic Molecules on MIL-47 at Zero Coverage
Tim Duerinck et al.
LANGMUIR (2012)
Revealing the Structure-Property Relationships of Metal-Organic Frameworks for CO2 Capture from Flue Gas
Dong Wu et al.
LANGMUIR (2012)
Revealing non-covalent interactions in solids: NCI plots revisited
Alberto Otero-de-la-Roza et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Prediction of thermodynamic properties of adsorbed gases in zeolitic imidazolate frameworks
Hedi Amrouche et al.
RSC ADVANCES (2012)
Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties
Igor A. Baburin et al.
DALTON TRANSACTIONS (2011)
Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods
Diego Alonso Saldana et al.
ENERGY & FUELS (2011)
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Julia Contreras-Garcia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Zeolitic imidazolate framework-8 as a luminescent material for the sensing of metal ions and small molecules
Shuang Liu et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions
Julia Contreras-Garcia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Experimental and Computational Study of Functionality Impact on Sodalite-Zeolitic Imidazolate Frameworks for CO2 Separation
Hedi Amrouche et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Expanding Applications of Metal-Organic Frameworks: Zeolite Imidazolate Framework ZIF-8 as an Efficient Heterogeneous Catalyst for the Knoevenagel Reaction
Uyen P. N. Tran et al.
ACS CATALYSIS (2011)
Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks
Anh Phan et al.
ACCOUNTS OF CHEMICAL RESEARCH (2010)
Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)
Andrew M. Walker et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Mechanical Properties of Dense Zeolitic Imidazolate Frameworks (ZIFs): A High-Pressure X-ray Diffraction, Nanoindentation and Computational Study of the Zinc Framework Zn(Im)(2), and its Lithium-Boron Analogue, LiB(Im)(4)
Thomas D. Bennett et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Functionalized MOFs for Enhanced CO2 Capture
Antonio Torrisi et al.
CRYSTAL GROWTH & DESIGN (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Revealing Noncovalent Interactions
Erin R. Johnson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Zeolitic Boron Imidazolate Frameworks
Jian Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Postsynthetic modification of metal-organic frameworks
Zhenqiang Wang et al.
CHEMICAL SOCIETY REVIEWS (2009)
Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks
Tao Wu et al.
CHEMISTRY OF MATERIALS (2009)
Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues
Dewi W. Lewis et al.
CRYSTENGCOMM (2009)
Zeolite RHO-Type Net with the Lightest Elements
Tao Wu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Enumeration of not-yet-synthesized zeolitic zinc imidazolate MOF networks: A topological and DFT approach
I. A. Baburin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Crystals as molecules: Postsynthesis covalent functionalization of zeolitic imidazolate frameworks
William Morris et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs
Bo Wang et al.
NATURE (2008)
High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture
Rahul Banerjee et al.
SCIENCE (2008)
Zeolite a imidazolate frameworks
Hideki Hayashi et al.
NATURE MATERIALS (2007)
Quantitative structure-uptake relationship of metal-organic frameworks as hydrogen storage material
Daejin Kim et al.
CATALYSIS TODAY (2007)
Design and generation of extended zeolitic metal-organic frameworks (ZMOFs): Synthesis and crystal structures of zinc(II) imidazolate polymers with zeolitic topologies
Yun-Qi Tian et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
Kyo Sung Park et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Ligand-directed strategy for zeolite-type metal-organic frameworks: Zinc(II) imidazolates with unusual zeolitic topologies
XC Huang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
J VandeVondele et al.
COMPUTER PHYSICS COMMUNICATIONS (2005)