Basis Set Effects on the Stabilities and Interaction Energies of Small Amide Molecules Adsorbed on Kaolinite Surface

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Basis Set Effects on the Stabilities and Interaction Energies of Small Amide Molecules Adsorbed on Kaolinite Surface

Adsorptions of small amide molecules, acetamide (AA) and N-methyl-acetamide (NMA) on the surface of kaolinite are investigated in this study. The focus is on the basis set effects towards the stabilities and the interaction energies of the molecules on the Al–O surface. With a fixed B3LYP functional...

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Bibliographic Details
Published in:	Indonesian Journal of Chemistry
Main Author:	Nabil N.-A.M.; Ang L.S.; Sulaiman S.
Format:	Article
Language:	English
Published:	Gadjah Mada University 2023
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85170226417&doi=10.22146%2fijc.79795&partnerID=40&md5=6c6711fe08d42ad335d83d607a7c5168

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