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Ab initio calculation of magnetic properties of CO, the equilibrium geometry and the 13C, 17O and 27Al NMR shielding tensors of the system

✍ Scribed by Th. Weller; W. Meiler; H.-J. Köhler; H. Lischka; R. Höller

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
349 KB
Volume
98
Category
Article
ISSN
0009-2614

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✦ Synopsis

The susceptibility and chemical shielding of CO were determined with regard to the experimental and optimized bond length using coupled Hxtree-Fock calculations with loge gaussian basis sets. The complex Ale/CO was invest&xtcd with respect to the eq:ilibrium geometry and the 13C, "0 and 27Al NMR chemical shielding tensors.

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