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A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite
Abatal, Mohamed, Ruiz-Salvador, A. Rabdel, Hernández, Norge CruzLanguage:
english
Journal:
Microporous and Mesoporous Materials
DOI:
10.1016/j.micromeso.2019.109885
Date:
November, 2019
File:
PDF, 1.55 MB
english, 2019