Description of excited states in [Re(Imidazole)(CO)3(Phen)]+ including solvent and spin‐orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach

Publisher: John Wiley & Sons Inc

E-ISSN: 1096-987x|37|27|2454-2466

ISSN: 0192-8651

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.37, Iss.27, 2016-10, pp. : 2454-2466

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Abstract