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Manuscript title: Spin?state energetics of metallocenes: How do best wave function and density functional theory results compare with the experimental data?

Journal: PCCP

DOI: 10.1039/D0CP04727A

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Title: /ruthenocene singl_BP86_ethanol
Authors: Mariusz, Radon
Jagiellonian University
Keywords: Metallocenes;Spin crossover
Issue Date: 4-Sep-2020
Publisher: Jagiellonian University, Krakow
Related to: Title: Spin?state energetics of metallocenes: How do best wave function and density functional theory results compare with the experimental data?
Journal: PCCP
DOI: 10.1039/D0CP04727A
Description: Ruthenocene, singlet ground state, BP86/def2TZVP, optimized in ethanol (COSMO model)
URI: https://www.iochem-bd.org//handle/10/221010
Appears in Collections:metallocenes



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/221010

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