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Synthesis, Characterization, and Computational Study of the trans-IO2F2-5 Anion.

✍ Scribed by Jerry A. Boatz; Karl O. Christe; David A. Dixon; Barbara A. Fir; Michael Gerken; Robert Z. Gnann; Helene P. A. Mercier; Gary J. Schrobilgen


Publisher
John Wiley and Sons
Year
2003
Weight
58 KB
Volume
34
Category
Article
ISSN
0931-7597

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Ab initio calculations of all indirect spin-spin coupling constants in the cis and tvans isomers of N,F, are discussed. The accuracy of the theoretical results is estimated and their values are compared with recent experimental data. Ab initio calculated values can be helpful in the analysis of the