Interactions of amino acids with H-ZSM-5 zeolite: An embedded ONIOM study
The adsorption of glycine and l-alanine on the H-ZSM-5 zeolite has been studied at an embedded ONIOM (MP2/6-31G(d,p):UFF) level of theory. The most stable adsorption structure involves ion-pair interactions between the protonated amino acid and the anionic zeolite framework. The adsorption energy is...
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Main Authors: | , , |
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Format: | Article |
Published: |
2018
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Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/19058 |
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Institution: | Mahidol University |