id	author	title	date	pages	extension	mime	words	sentence	flesch	summary	cache	txt
eurjchem-2045	Oyegoke, Toyese; Dabai, Fadimatu Nyako; Uzairu, Adamu; Jibril, Baba El-Yakubu	Mechanistic insight into propane dehydrogenation into propylene over chromium (III) oxide by cluster approach and Density Functional Theory calculations	2020	9	.pdf	application/pdf	7465	389	58	This study also unveils that the significant participation of Cr sites in the propane dehydrogenation process and how the Cr high surface concentration would hinder the desorption of propylene and thereby promote the production of undesired products due to the stronger affinity that exists between the propylene and Cr-Cr site, which makes it more stable on the surface. Reaction energy (ΔG) in eV for the reaction path across (a) Cr-Cr and (b) Cr-O sites, where ‘ads,’ ‘des1’, ‘diff,’ and ‘suf1’ stand for adsorption, desorption (similar to ‘des2’), hydrogen diffusion, and surface reaction (similar for ‘suf2’), respectively.	cache/eurjchem-2045.pdf	txt/eurjchem-2045.txt