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Calculation of the nuclear spin-spin coupling constants of second-row elements. I. Couplings to hydrogen

โœ Scribed by Martin D Beer; Roger Grinter


Publisher
Elsevier Science
Year
1977
Weight
731 KB
Volume
26
Category
Article
ISSN
0022-2364

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โœ Mark A. Watson; Paweล‚ Saล‚ek; Peter Macak; Michaล‚ Jaszuล„ski; Trygve Helgaker ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 372 KB ๐Ÿ‘ 1 views

## Abstract We present calculations of indirect nuclear spinโ€“spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linearโ€scaling techniques in the evaluation of the Coulomb and exchangeโ€cor