✦ LIBER ✦

DFT Calculation of Intermolecular Nuclear Spin–Spin Coupling in van der Waals Dimers

✍ Scribed by Alessandro Bagno; Giacomo Saielli; Gianfranco Scorrano

Publisher: John Wiley and Sons
Year: 2001
Tongue: English
Weight: 75 KB
Volume: 40
Category: Article
ISSN: 0044-8249
DOI: 10.1002/1521-3773(20010702)40:13<2532::aid-anie2532>3.0.co;2-e

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✦ Synopsis

A small but detectable intermolecular spin-spin coupling (J ) is predicted by density functional calculations on van der Waals bonded dimers like methane-benzene and benzene-benzene, as shown in the picture.

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