Ab-Initio-Based Transferable Potential for Sodalites
Author:
Affiliation:
1. Departments of Chemistry and Physics, University of California, Santa Barbara, California 93106
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp972681z
Reference44 articles.
1. Ab initio quantum chemical calculations of aluminum substitution in zeolite ZSM-5
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5. An investigation of the electronic and optical properties of dehydrated sodalite fully doped with Na
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