Molecular chemisorption on open metal sites in Cu3(benzenetricarboxylate)2: A spatially periodic density functional theory study

Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations

(2010) Emmanuel Haldoupis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multiple Functional Groups of Varying Ratios in Metal-Organic Frameworks

(2010) H. Deng et al.   SCIENCE

Growth Mechanism of Metal-Organic Frameworks: Insights into the Nucleation by Employing a Step-by-Step Route

(2009) Osama Shekhah et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

(2009) Sang Soo Han et al.   CHEMICAL SOCIETY REVIEWS

Metal–organic framework materials as catalysts

(2009) JeongYong Lee et al.   CHEMICAL SOCIETY REVIEWS

Selective gas adsorption and separation in metal–organic frameworks

(2009) Jian-Rong Li et al.   CHEMICAL SOCIETY REVIEWS

Enhancement of CO2/N2 selectivity in a metal-organic framework by cavity modification

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

Exceptionally High Acetylene Uptake in a Microporous Metal−Organic Framework with Open Metal Sites

(2009) Shengchang Xiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational identification of a metal organic framework for high selectivity membrane-based CO2/CH4 separations: Cu(hfipbb)(H2hfipbb)0.5

(2009) Taku Watanabe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Negative Thermal Expansion in the Metal-Organic Framework Material Cu3(1,3,5-benzenetricarboxylate)2

(2008) Yue Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Local Structure of CPO-27-Ni Metallorganic Framework upon Dehydration and Coordination of NO

(2008) Francesca Bonino et al.   CHEMISTRY OF MATERIALS

Assessment of a Metal−Organic Framework Membrane for Gas Separations Using Atomically Detailed Calculations: CO2, CH4, N2, H2Mixtures in MOF-5

(2008) Seda Keskin et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials

(2008) Seda Keskin et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers

(2008) Jeffery A. Greathouse et al.   Journal of Physical Chemistry C

Guest-Dependent High Pressure Phenomena in a Nanoporous Metal−Organic Framework Material

(2008) Karena W. Chapman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Size-Selective Lewis Acid Catalysis in a Microporous Metal-Organic Framework with Exposed Mn2+Coordination Sites

(2008) Satoshi Horike et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

(2008) Mark D. Allendorf et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Open Metal Sites on Adsorption of Polar and Nonpolar Molecules in Metal−Organic Framework Cu-BTC

(2008) Jagadeswara R. Karra et al.   LANGMUIR

Recent developments in nitric oxide donor drugs

(2007) M R Miller et al.   BRITISH JOURNAL OF PHARMACOLOGY

Probing the Adsorption Sites for CO2in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory

(2007) N. A. Ramsahye et al.   Journal of Physical Chemistry C