High-throughput and comprehensive prediction of H2adsorption in metal-organic frameworks under various conditions

Density Functional Methods for Fast Screening of Metal–Organic Frameworks for Hydrogen Storage

(2015) Jia Fu et al.   Journal of Physical Chemistry C

High-throughput computational screening of metal–organic frameworks

(2014) Yamil J. Colón et al.   CHEMICAL SOCIETY REVIEWS

Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials

(2014) Diego A. Gómez-Gualdrón et al.   Journal of Physical Chemistry C

Engineering chiral porous metal-organic frameworks for enantioselective adsorption and separation

(2014) Yongwu Peng et al.   Nature Communications

Computational screening of porous carbons, zeolites, and metal organic frameworks for desulfurization and decarburization of biogas, natural gas, and flue gas

(2013) Xuan Peng et al.   AICHE JOURNAL

Hydrogen Storage in Metal-Organic Frameworks: A Review

(2013) Henrietta W. Langmi et al.   ELECTROCHIMICA ACTA

A Site Density Functional Theory for Water: Application to Solvation of Amino Acid Side Chains

(2013) Yu Liu et al.   Journal of Chemical Theory and Computation

Sorption-Induced Structural Transition of Zeolitic Imidazolate Framework-8: A Hybrid Molecular Simulation Study

(2013) Liling Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Storage in Metal–Organic Frameworks

(2011) Myunghyun Paik Suh et al.   CHEMICAL REVIEWS

Metal–Organic Framework Materials as Chemical Sensors

(2011) Lauren E. Kreno et al.   CHEMICAL REVIEWS

Metal–Organic Frameworks for Separations

(2011) Jian-Rong Li et al.   CHEMICAL REVIEWS

Large-scale screening of hypothetical metal–organic frameworks

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

Computational screening of metal-organic frameworks for xenon/krypton separation

(2010) Patrick Ryan et al.   AICHE JOURNAL

Engineering Metal Organic Frameworks for Heterogeneous Catalysis

(2010) A. Corma et al.   CHEMICAL REVIEWS

Density Functional Theory for Adsorption of Gas Mixtures in Metal−Organic Frameworks

(2010) Yu Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

De novo synthesis of a metal–organic framework material featuring ultrahigh surface area and gas storage capacities

(2010) Omar K. Farha et al.   Nature Chemistry

Ultrahigh Porosity in Metal-Organic Frameworks

(2010) H. Furukawa et al.   SCIENCE

Freeze Drying Significantly Increases Permanent Porosity and Hydrogen Uptake in 4,4-Connected Metal–Organic Frameworks

(2009) Liqing Ma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enantioselective catalysis with homochiral metal–organic frameworks

(2009) Liqing Ma et al.   CHEMICAL SOCIETY REVIEWS

A novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfaces

(2009) Yang-Xin Yu   JOURNAL OF CHEMICAL PHYSICS

Development of a Density Functional Theory in Three-Dimensional Nanoconfined Space: H2Storage in Metal−Organic Frameworks

(2009) Yu Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Predicting Gas Adsorption in Complex Microporous and Mesoporous Materials Using a New Density Functional Theory of Finely Discretized Lattice Fluids

(2009) Daniel W. Siderius et al.   LANGMUIR

Liquid Phase Adsorption by Microporous Coordination Polymers: Removal of Organosulfur Compounds

(2008) Katie A. Cychosz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks

(2007) Krista S. Walton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY