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Ab initio calculation of the equilibrium geometry and the 13C, 17O, 23Na and 7Li NMR shielding tensors of the systems Na+/CO and Li+/CO

✍ Scribed by Th. Weller; W. Meiler; H. Pfeifer; H. Lischka; R. Höller

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
412 KB
Volume
95
Category
Article
ISSN
0009-2614

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✦ Synopsis

is slightly deeper than in Na+...CO. The minimum corresponding to CO...Lic is deeper than in Li+...CO. The 13C. "0 . 23Na and 'Li NMR shielding tensors were computed with the coupled Hartree-Fock method with large gussian basis sets.

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