ACS Physical Chemistry Au (Oct 2021)

Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a >1 eV Range for Ionization Potential and Electron Affinity

  • Jeanet Conradie,
  • Hugo Vazquez-Lima,
  • Abraham B. Alemayehu,
  • Abhik Ghosh

DOI
https://doi.org/10.1021/acsphyschemau.1c00030
Journal volume & issue
Vol. 2, no. 2
pp. 70 – 78

Abstract

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