Monday, August 27, 2012

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

Linjiang Chen, Carole A. Morrison and Tina Düren



TOC Graphic


The Journal of Physical Chemistry C

DOI: 10.1021/jp3062527






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