Assessment of Several DFT Functionals in Calculation of the Reduction Potentials for Ni–, Pd–, and Pt–Bis-ethylene-1,2-dithiolene and -Diselenolene Complexes
Author:
Affiliation:
1. Department of Chemistry, Dalhousie University, Halifax, Nova Scotia B3H 4R2, Canada
Funder
Natural Sciences and Engineering Research Council of Canada
Killam Trusts
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp511350z
Reference73 articles.
1. Metal 1,2-Dithiolene and Related Complexes
2. Luminescence and Photochemistry of Metal Dithiolene Complexes
3. Charge-transfer in ion pairs: design of photoreactivity in solution and electrical dark- and photoconductivity in the solid
4. Paramagnetic Cp/Dithiolene Complexes as Molecular Hinges: Interplay of Metal/Ligand Electronic Delocalization and Solid-State Magnetic Behavior
5. Intermolecular interactions in the molecular ferromagnetic NH4Ni(mnt)2· H2O
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