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Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case study |
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| Authors: | Neese Frank |
| Institution: | Institut für Physikalische und Theoretische Chemie, Universit?t Bonn, Wegelerstrasse 12, 53115 Bonn, Germany. theochem@thch.uni-bonn.de |
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