Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations
Chen, Linjiang, Morrison, Carole A., Düren, TinaVolume:
116
Language:
english
Pages:
11
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/jp3062527
Date:
September, 2012
File:
PDF, 623 KB
english, 2012