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ab initio determination of bond dissociation energies: The first-row diatomics co, N2, NO, O2, and F2

โœ Scribed by J. S. Binkley; M. J. Frisch


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
373 KB
Volume
24
Category
Article
ISSN
0020-7608

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Ab initio study of the isoelectronic ser
โœ Nancy J.S. Peters ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 240 KB

In view of the experimental determination of the NF bond length in NF: by Christe et al. (197 1) it is worthwhile to attempt to predict the NF bond length in N2 F+ , the NF bond with the largest known NF force constant. Calculations at the HF/4-3 1 G, HF/6-3 lG\* and MP2/6-3 IG\* levels were complet