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Normal Mode Analysis in Zeolites: Toward an Efficient Calculation of Adsorption Entropies
De Moor, Bart A., Ghysels, An, Reyniers, Marie-Françoise, Van Speybroeck, Veronique, Waroquier, Michel, Marin, Guy B.Volume:
7
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct1005505
Date:
April, 2011
File:
PDF, 3.28 MB
english, 2011