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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
Metadata:
| Title: | /ferrocene singl_BP86_ethanol |
| Authors: | Mariusz, Radon |
| Keywords: | Metallocenes Spin crossover |
| Issue Date: | 4-Sep-2020 |
| Publisher: | Jagiellonian University, Krakow |
| Description: | Ferrocene, singlet ground state, BP86/def2TZVP, optimized in ethanol (COSMO model) |
| URI: | https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/82 |
| Appears in Collections: | metallocenes - DOI: 10.19061/iochem-bd-7-4 |
Please use this identifier to cite or link to this item:
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/82
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