Understanding CO2Dynamics in Metal-Organic Frameworks with Open Metal Sites

High-Throughput Characterization of Porous Materials Using Graphics Processing Units

(2012) Jihan Kim et al.   Journal of Chemical Theory and Computation

CO2 Capture by Metal–Organic Frameworks with van der Waals Density Functionals

(2012) Roberta Poloni et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Investigating the Relative Influences of Molecular Dimensions and Binding Energies on Diffusivities of Guest Species Inside Nanoporous Crystalline Materials

(2012) Rajamani Krishna et al.   Journal of Physical Chemistry C

CO2 Dynamics in a Metal–Organic Framework with Open Metal Sites

(2012) Xueqian Kong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg2(dobpdc)

(2012) Thomas M. McDonald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab initio carbon capture in open-site metal–organic frameworks

(2012) Allison L. Dzubak et al.   Nature Chemistry

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Analyzing the frequency shift of physiadsorbed CO2in metal organic framework materials

(2012) Yanpeng Yao et al.   PHYSICAL REVIEW B

Large-Pore Apertures in a Series of Metal-Organic Frameworks

(2012) H. Deng et al.   SCIENCE

Carbon Dioxide Capture in Metal–Organic Frameworks

(2011) Kenji Sumida et al.   CHEMICAL REVIEWS

Carbon capture in metal–organic frameworks—a comparative study

(2011) Jason M. Simmons et al.   Energy & Environmental Science

Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

(2011) Jarad A. Mason et al.   Energy & Environmental Science

Site-Specific CO2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network

(2011) Wendy L. Queen et al.   Journal of Physical Chemistry C

Selective Binding of O2over N2in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites

(2011) Eric D. Bloch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carbon Dioxide Capture: Prospects for New Materials

(2010) Deanna M. D'Alessandro et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74

(2010) L. Valenzano et al.   Journal of Physical Chemistry C

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

(2009) Carlos Campañá et al.   Journal of Chemical Theory and Computation

Application of metal–organic frameworks with coordinatively unsaturated metal sites in storage and separation of methane and carbon dioxide

(2009) Pascal D. C. Dietzel et al.   JOURNAL OF MATERIALS CHEMISTRY

Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites

(2009) D. Britt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hydrogen Storage in Microporous Metal-Organic Frameworks with Exposed Metal Sites

(2008) Mircea Dincă et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

(2008) Berend Smit et al.   CHEMICAL REVIEWS

Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores

(2008) Stephen R. Caskey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY