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Chm 7440 winter 2005 - PowerPoint PPT Presentation

Transferability of Parameters for Al and O in the Adsorption of Alkanes on Alumina

Transferability of Parameters for Al and O in the Adsorption of Alkanes on Alumina. Damien A. Bernard-Brunel Department of Chemical Engineering and Materials Science Wayne State University CHM-7440 Winter 2005. Overview. Introduction Methodology Job, Theory, and Basis set

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Chm 7440 winter 2005 - PowerPoint PPT Presentation

Transferability of Parameters for Al and O in the Adsorption of Alkanes on Alumina