Impact of functionalized linkers on the energy landscape of ZIFs

Noncovalent Interaction Analysis in Fluctuating Environments

(2013) Pan Wu et al.   Journal of Chemical Theory and Computation

Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

(2013) Michael Fernandez et al.   Journal of Physical Chemistry C

On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods

(2013) D.A. Saldana et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Rationalization of the entrapping of bioactive molecules into a series of functionalized porous zirconium terephthalate MOFs

(2013) D. Cunha et al.   Journal of Materials Chemistry B

Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities

(2012) Gabriele Saleh  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions

(2012) Natacha Gillet et al.   Journal of Chemical Theory and Computation

Thermochemistry of Zeolitic Imidazolate Frameworks of Varying Porosity

(2012) James T. Hughes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pulse Gas Chromatographic Study of Adsorption of Substituted Aromatics and Heterocyclic Molecules on MIL-47 at Zero Coverage

(2012) Tim Duerinck et al.   LANGMUIR

Revealing the Structure–Property Relationships of Metal–Organic Frameworks for CO2 Capture from Flue Gas

(2012) Dong Wu et al.   LANGMUIR

Revealing non-covalent interactions in solids: NCI plots revisited

(2012) Alberto Otero-de-la-Roza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Prediction of thermodynamic properties of adsorbed gases in zeolitic imidazolate frameworks

(2012) Hedi Amrouche et al.   RSC Advances

Metal Azolate Frameworks: From Crystal Engineering to Functional Materials

(2011) Jie-Peng Zhang et al.   CHEMICAL REVIEWS

Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks

(2011) Raimondas Galvelis et al.   CRYSTENGCOMM

Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods

(2011) Diego Alonso Saldana et al.   ENERGY & FUELS

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

Zeolitic imidazolate framework-8 as a luminescent material for the sensing of metal ions and small molecules

(2011) Shuang Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Computational Study of Functionality Impact on Sodalite–Zeolitic Imidazolate Frameworks for CO2Separation

(2011) Hedi Amrouche et al.   Journal of Physical Chemistry C

A quantitative structure activity relationship approach to probe the influence of the functionalization on the drug encapsulation of porous metal-organic frameworks

(2011) C. Gaudin et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Expanding Applications of Metal−Organic Frameworks: Zeolite Imidazolate Framework ZIF-8 as an Efficient Heterogeneous Catalyst for the Knoevenagel Reaction

(2011) Uyen P. N. Tran et al.   ACS Catalysis

Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

(2010) Andrew M. Walker et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2010) Thomas D. Bennett et al.   CHEMISTRY-A EUROPEAN JOURNAL

Functionalized MOFs for Enhanced CO2Capture

(2010) Antonio Torrisi et al.   CRYSTAL GROWTH & DESIGN

Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties

(2010) Igor A. Baburin et al.   DALTON TRANSACTIONS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks

(2009) Anh Phan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Zeolitic Boron Imidazolate Frameworks

(2009) Jian Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Postsynthetic modification of metal–organic frameworks

(2009) Zhenqiang Wang et al.   CHEMICAL SOCIETY REVIEWS

Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks

(2009) Tao Wu et al.   CHEMISTRY OF MATERIALS

Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues

(2009) Dewi W. Lewis et al.   CRYSTENGCOMM

Zeolite RHO-Type Net with the Lightest Elements

(2009) Tao Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enumeration of Not-Yet-Synthesized Zeolitic Zinc Imidazolate MOF Networks: A Topological and DFT Approach

(2008) I. A. Baburin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Crystals as Molecules: Postsynthesis Covalent Functionalization of Zeolitic Imidazolate Frameworks

(2008) William Morris et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs

(2008) Bo Wang et al.   NATURE

High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO2Capture

(2008) Rahul Banerjee et al.   SCIENCE