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Coadsorption of NH3 and CO on Ru(001): The ordering in mixed layers and the effect of intermolecular interactions on NH3 dissociation

✍ Scribed by Takehiko Sasaki; Tetsuya Aruga; Haruo Kuroda; Yasuhiro Iwasawa

Book ID
118363207
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
715 KB
Volume
224
Category
Article
ISSN
0039-6028

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✍ Charles W. Bauschlicher Jr.; Alessandra Ricca πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 452 KB

BH3CO, BF3CO, BH3NH3, and BF3NH 3 have been studied using density functional theory. The computed geometries are in reasonable agreement with experiment. BF3CO is found to be weakly bound. The binding energies of BH3CO, BH3NH3, and BF3NH 3 have also been computed using the coupled cluster singles an