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Uncoupled Hartree-Fock calculations of the ring current properties of some heterocyclics

โœ Scribed by H. G. Ff. Roberts


Publisher
Springer
Year
1970
Tongue
English
Weight
224 KB
Volume
17
Category
Article
ISSN
1432-2234

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Calculation of the Fermi contact term in
โœ G. de Brouckรจre; N.J. Trappeniers; C.A. Ten Seldam ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 287 KB

A msterdarn, The ~et~~er~l~~s (213rir prrb!icution of ihe Vtru der Wads Fund) Received 8 May19i3 A semi-empirical unrestricted Hytree-Fock MO method has been developed for the purpose of calculating the Fermi contact term Ln trsnsition metal complexes. An application tu the systems CuCIiand hinCl:-,