The effect of SO2 on CO2 capture in zeolitic imidazolate frameworks

How Well Do Metal–Organic Frameworks Tolerate Flue Gas Impurities?

(2012) Lifeng Ding et al.   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

Trace Flue Gas Contaminants Poison Coordinatively Unsaturated Metal–Organic Frameworks: Implications for CO2 Adsorption and Separation

(2012) Kuang Yu et al.   Journal of Physical Chemistry C

Evaluation of the Impact of H2O, O2, and SO2 on Postcombustion CO2 Capture in Metal–Organic Frameworks

(2012) Jiamei Yu et al.   LANGMUIR

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

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

Carbon Dioxide Capture in Metal–Organic Frameworks

(2011) Kenji Sumida et al.   CHEMICAL REVIEWS

Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks

(2011) Jian-Rong Li et al.   COORDINATION CHEMISTRY REVIEWS

Development of an Optimized Intermolecular Potential for Sulfur Dioxide

(2011) MaryBeth H. Ketko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ab-Initio Study of the Adsorption and Separation of NOx and SOx Gases in Functionalized IRMOF Ligands

(2011) Konstantinos A. Fioretos et al.   Journal of Physical Chemistry C

Carbon Dioxide Capture: Prospects for New Materials

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

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal−Organic Frameworks

(2010) A. Nalaparaju et al.   Journal of Physical Chemistry C

Grand-Canonical Monte Carlo and Molecular-Dynamics Simulations of Carbon-Dioxide and Carbon-Monoxide Adsorption in Zeolitic Imidazolate Framework Materials

(2010) Andrew Sirjoosingh et al.   Journal of Physical Chemistry C

Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4, and CH4/N2 by ZIFs

(2010) Bei Liu et al.   Journal of Physical Chemistry C

A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks

(2010) William Morris et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced CO2Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules

(2009) A. Özgür Yazaydın et al.   CHEMISTRY OF MATERIALS

Upgrade of natural gas in rho zeolite-like metal–organic framework and effect of water: a computational study

(2009) Ravichandar Babarao et al.   Energy & Environmental Science

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

(2009) Almudena García-Sánchez et al.   Journal of Physical Chemistry C

Understanding the Adsorption and Diffusion of Carbon Dioxide in Zeolitic Imidazolate Frameworks: A Molecular Simulation Study

(2009) Dahuan Liu et al.   Journal of Physical Chemistry C

Control of Pore Size and Functionality in Isoreticular Zeolitic Imidazolate Frameworks and their Carbon Dioxide Selective Capture Properties

(2009) Rahul Banerjee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carbon Dioxide Sequestration A Solution to a Global Problem

(2008) E. H. Oelkers et al.   Elements

Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

(2008) T. J. H. Vlugt et al.   Journal of Chemical Theory and Computation

Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs

(2008) Bo Wang et al.   NATURE

Metal-organic frameworks with high capacity and selectivity for harmful gases

(2008) D. Britt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2008) Rahul Banerjee et al.   SCIENCE