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Published in 2018 at "Molecular Physics"
DOI: 10.1080/00268976.2018.1432904
Abstract: ABSTRACT Results of quantum mechanical computations of the antisymmetric part of the indirect spin–spin coupling tensor, , performed using the coupled-cluster method, the second-order polarisation propagator approximation, and the density functional theory for 25 molecules…
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Keywords:
chirality sensitive;
spin coupling;
spin;
indirect spin ... See more keywords