DFT Calculation of Intermolecular Nuclear Spin-Spin Coupling in van der Waals Dimers
- 2 July 2001
- journal article
- research article
- Published by Wiley in Angewandte Chemie International Edition in English
- Vol. 40 (13) , 2532-2534
- https://doi.org/10.1002/1521-3773(20010702)40:13<2532::aid-anie2532>3.0.co;2-e
Abstract
A small but detectable intermolecular spin–spin coupling (JC,H) is predicted by density functional calculations on van der Waals bonded dimers like methane–benzene and benzene–benzene, as shown in the picture.This publication has 27 references indexed in Scilit:
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