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Investigation of 19F–19F spin–spin coupling in 1-(x-fluorophenyl)-8-(y-fluorophenyl)naphthalenes (x, y = 2, 3, 4)

✍ Scribed by Ludger Ernst; Peyman Sakhaii


Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
122 KB
Volume
38
Category
Article
ISSN
0749-1581

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A compact, yet accurate, and strictly virial-compliant ab initio electronic wavefunction for ground-state Li 2 is exploited for a study of the molecule's electronic structure and electron density. Symmetry-breaking problems that emerge at the single-configuration level are solved in a multiconfigura