DFT-ONIOM study of ammonia activation by MM'APO-5 (M,M' = Ti, Zr, Co) bimetallic molecular sieves. The influence of the neighboring metal from a theoretical point of view-Reference-Cited by-同舟云学术

DFT-ONIOM study of ammonia activation by MM'APO-5 (M,M' = Ti, Zr, Co) bimetallic molecular sieves. The influence of the neighboring metal from a theoretical point of view

Published:2024-02 Issue: Volume:1232 Page:114444
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Sierraalta Anibal^ORCID,Añez Rafael,Coll David S.,Hurtado Oscar

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference47 articles.

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3. E, M. Flanigen, R. L. Patton, S. T. Wilson (1988). Structural, Synthetic and Physicochemical Concepts in Aluminophosphate-Based Molecular Sieves. Innovation in Zeolite Materials Science, Proceedings of an International Symposium, 13–27. https://doi.org/10.1016/S0167-2991(09)60578-4.

4. Transition-Metal Ions in Aluminophosphate and Silicoaluminophosphate Molecular Sieves: Location, Interaction with Adsorbates and Catalytic Properties;Hartmann;Chem. Rev.,1999

5. A Systematic Study of Isomorphically Substituted H-MAlPO-5 Materials for the Methanol-to-Hydrocarbons Reaction;Morten;Chem. Phys. Chem,2018

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