NMR tensors in planar hydrocarbons of increasing size†
Abstract
13C nuclear shielding and 13C–13C spin–spin coupling tensors were calculated using density functional theory linear response methods for a series of planar
* Corresponding authors
a Laboratory of Physical Chemistry, Department of Chemistry, P.O. Box 55 (A.I. Virtasen aukio 1), FIN-00014 University of Helsinki, Finland
b NMR Research Group, Department of Physics, P.O. Box 3000, FIN-90014 University of Oulu, Finland
c CSC–IT Center for Science Ltd., P.O. Box 405, FIN-02101 Espoo, Finland
d
NMR Research Group, Department of Physics, P.O. Box 3000, FIN-90014 University of Oulu, Finland
E-mail:
juha.vaara@oulu.fi
13C nuclear shielding and 13C–13C spin–spin coupling tensors were calculated using density functional theory linear response methods for a series of planar
S. Ikäläinen, P. Lantto, P. Manninen and J. Vaara, Phys. Chem. Chem. Phys., 2009, 11, 11404 DOI: 10.1039/B919860A
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