| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10243638 | Catalysis Today | 2012 | 13 Pages |
Abstract
⺠Determination of the structure relaxation of CPO-27-Ni MOF upon molecular adsorption. ⺠Determination of vibrational modes perturbation of MOFs upon molecular adsorption. ⺠Correlation between structure relaxation and adsorption enthalpies. ⺠Vibrational modes determination of MOfs with DFT calculations. ⺠Molecular adsorption enthalpies inside MOfs with DFT calculations.
Related Topics
Physical Sciences and Engineering
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Authors
L. Valenzano, J.G. Vitillo, S. Chavan, B. Civalleri, F. Bonino, S. Bordiga, C. Lamberti,