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CASSCF/QD-NEVPT2 calculations

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1 results in Keywords: CASSCF/QD-NEVPT2 calculations

Inorganic Chemistry

Realizing the magneto-structural correlation of a highly anisotropic Fe(III) porphyrin complex through ab-initio approaches

Mayurika Das, Sujit Kamilya, Subhankar Mandal, Sher Singh Meena, Jiri Pechousek, Radovan Herchel, Abhishake Mondal

Version 1 posted 26 February 2025

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