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RASSCF/RASPT2/MC-PDFT methods

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1 results in Keywords: RASSCF/RASPT2/MC-PDFT methods

Theoretical and Computational Chemistry

Unveiling the redox non-innocence of metallocorroles: Exploring K-edge X-ray absorption near-edge spectroscopy with a multiconfigurational wave function approach

Rishu Khurana, Cong Liu

Version 1 posted 30 July 2024

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