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On the nature of the interaction in donor-acceptor van der Waals complexes: BH3…CO, BF3…CO, BH3…NH3 and BF3…NH3

✍ Scribed by V.M. Rayón; J.A. Sordo


Book ID
114142773
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
628 KB
Volume
426
Category
Article
ISSN
0166-1280

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On the interaction of CO and NH3 with BH
✍ Charles W. Bauschlicher Jr.; Alessandra Ricca 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 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