Magnetic Exchange Couplings from Noncollinear Perturbation Theory: Dinuclear CuII Complexes
To benchmark the performance of a new method based on noncollinear coupled-perturbed density functional theory [J. Chem. Phys. 138, 174115 (2013)], we calculate the magnetic exchange couplings in a series of triply bridged ferromagnetic dinuclear CuII complexes that have been recently synthesized [P...
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Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (31), p.5841-5847 |
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Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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