Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a >1 eV Range for Ionization Potential and Electron Affinity
Author:
Affiliation:
1. Department of Chemistry, UiT − The Arctic University of Norway, N-9037 Tromsø, Norway
2. Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein 9300, Republic of South Africa
Funder
Norges Forskningsr??d
National Research Foundation
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.1c00030
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