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Ab Initio Study of Chemisorption Reactions for Carboxylic Acids on Hydrogenated Silicon Surfaces

โœ Scribed by Cucinotta, Clotilde S.; Ruini, Alice; Caldas, Marilia J.; Molinari, Elisa


Book ID
115503465
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
158 KB
Volume
108
Category
Article
ISSN
0022-3654

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Ab initio studies on hydrogen-transfer t
โœ Yuxiang Bu; Zhaohua Cao; Xinyu Song ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 798 KB

This article presents a treatment scheme of the tunneling of hydrogen between two molecular centers ((3.'. Cl). The purpose is to calculate the tunneling probabilities of hydrogen atom transfer from the initial (the proceeding complex) to the final-state energy minima (the succeeding complex) in two