A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives

• Quan Manh Phung,
• Yasin Muchammad,
• Takeshi Yanai,
• Abhik Ghosh

Affiliations

Quan Manh Phung

Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan

Yasin Muchammad

Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan

Takeshi Yanai

Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya, Aichi, Japan

Abhik Ghosh

Department of Chemistry, UiT-The Arctic University of Norway, Tromsø, Norway