Fischer, M and Kuchta, B and Firlej, L and Hoffman, F and Froeba, M (2010) Accurate Prediction of Hydrogen Adsorption in Metal-Organic Frameworks with Unsaturated Metal Sites via a Combined Density-Functional Theory and Molecular Mechanics Approach. JOURNAL OF PHYSICAL CHEMISTRY C , 114 (44) 19116 - 19126. 10.1021/jp1058963.
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| Type: | Article |
|---|---|
| Title: | Accurate Prediction of Hydrogen Adsorption in Metal-Organic Frameworks with Unsaturated Metal Sites via a Combined Density-Functional Theory and Molecular Mechanics Approach |
| DOI: | 10.1021/jp1058963 |
| UCL classification: | UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry |
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