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A coupled Hartree-Fock study on nuclear magnetic shielding in (HF)2 and (H2O)2

✍ Scribed by Robert Höller; Hans Lischka

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
332 KB
Volume
84
Category
Article
ISSN
0009-2614

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✦ Synopsis

Hat-tree-Fock ulclllatlons on susceptibltles and nuclear magnetic shleldmg constants have been performed for (HI3 and (H20j2

The apphcatlon of the completeness rektlon m choosing a "best gauge" is a valuable ald but vekf large basis sets must be used to come close to the Htiree-Fock hnut Intermolecular effects of mducfd magnetic fields on the shwzklmg tensor are discussed

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