id	author	title	date	pages	extension	mime	words	sentence	flesch	summary	cache	txt
8w32r496x25	Wenguang Lin	DFT Simulations of Re3 Metal Cluster Binding on Alumina in Hydrogen Environments	2010		.txt	text/plain	362	12	39	To compare the effects of surface hydroxylation on cluster-support binding, periodic supercell simulations are performed on Re3 clusters adsorbed on a hydrogen-free ('dry') and fully hydroxylated ('wet') ÌøåÁ-alumina (0001) surface. In this thesis, molecular-level density functional theory (DFT) simulations and periodic supercell and cluster models are used to describe a trinuclear rhenium (Re3) cluster adsorbed on an alumina (Al2O3) support as a function of reaction environments.	cache/8w32r496x25.txt	txt/8w32r496x25.txt