Molecular simulation of low temperature argon adsorption in several models of IRMOF-1 with defects and structural disorder

Defect-Engineered Metal-Organic Frameworks

(2015) Zhenlan Fang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The surface chemistry of metal–organic frameworks

(2015) Christina V. McGuire et al.   CHEMICAL COMMUNICATIONS

Guest-Induced Emergent Properties in Metal–Organic Frameworks

(2015) Mark D. Allendorf et al.   Journal of Physical Chemistry Letters

Defects in Metal–Organic Frameworks: Challenge or Opportunity?

(2015) David S. Sholl et al.   Journal of Physical Chemistry Letters

Post-synthetic metalation of metal–organic frameworks

(2014) Jack D. Evans et al.   CHEMICAL SOCIETY REVIEWS

Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites

(2014) Miguel Jorge et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Computational approaches to study adsorption in MOFs with unsaturated metal sites

(2014) Michael Fischer et al.   MOLECULAR SIMULATION

One-Pot Synthesis of Protein-Embedded Metal–Organic Frameworks with Enhanced Biological Activities

(2014) Fengjiao Lyu et al.   NANO LETTERS

Correlated defect nanoregions in a metal–organic framework

(2014) Matthew J. Cliffe et al.   Nature Communications

Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Powder Diffraction Experiments

(2013) Linjiang Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unusual and Highly Tunable Missing-Linker Defects in Zirconium Metal–Organic Framework UiO-66 and Their Important Effects on Gas Adsorption

(2013) Hui Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Guanine binding to gold nanoparticles through nonbonding interactions

(2013) Xi Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

Toward Rational Design of Metal–Organic Frameworks for Sensing Applications: Efficient Calculation of Adsorption Characteristics in Zero Loading Regime

(2012) Lev Sarkisov   Journal of Physical Chemistry C

Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations

(2012) Linjiang Chen et al.   Journal of Physical Chemistry C

Thermodynamics of Pore Filling Metal Clusters in Metal Organic Frameworks: Pd in UiO-66

(2012) Lasse B. Vilhelmsen et al.   Journal of Physical Chemistry Letters

Introduction of Functionalized Mesopores to Metal–Organic Frameworks via Metal–Ligand–Fragment Coassembly

(2012) Jinhee Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and Mobility of Metal Clusters in MOFs: Au, Pd, and AuPd Clusters in MOF-74

(2012) Lasse B. Vilhelmsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Calculation and visualization of free energy barriers for several VOCs and TNT in HKUST-1

(2012) Lev Sarkisov   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals?

(2012) Aurélie U. Ortiz et al.   PHYSICAL REVIEW LETTERS

Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation

(2011) Linjiang Chen et al.   Journal of Physical Chemistry C

Heterogeneity within Order in Crystals of a Porous Metal–Organic Framework

(2011) Kyung Min Choi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational structure characterisation tools in application to ordered and disordered porous materials

(2011) Lev Sarkisov et al.   MOLECULAR SIMULATION

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Postsynthetic modification of metal–organic frameworks—a progress report

(2010) Kristine K. Tanabe et al.   CHEMICAL SOCIETY REVIEWS

Physical Adsorption Characterization of Nanoporous Materials

(2010) M. Thommes   CHEMIE INGENIEUR TECHNIK

Metals@MOFs - Loading MOFs with Metal Nanoparticles for Hybrid Functions

(2010) Mikhail Meilikhov et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Ultrahigh Porosity in Metal-Organic Frameworks

(2010) H. Furukawa et al.   SCIENCE

Multiple Functional Groups of Varying Ratios in Metal-Organic Frameworks

(2010) H. Deng et al.   SCIENCE

Large breathing effects in three-dimensional porous hybrid matter: facts, analyses, rules and consequences

(2009) Gérard Férey et al.   CHEMICAL SOCIETY REVIEWS

Strategies for Characterization of Large-Pore Metal-Organic Frameworks by Combined Experimental and Computational Methods

(2009) Youn-Sang Bae et al.   CHEMISTRY OF MATERIALS

Building MOF bottles around phosphotungstic acid ships: One-pot synthesis of bi-functional polyoxometalate-MIL-101 catalysts

(2009) Jana Juan-Alcañiz et al.   JOURNAL OF CATALYSIS

Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach

(2009) A. Özgür Yazaydın et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY