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Manuscript title: Density functional approximations for consistent spin and oxidation states of oxoiron complexes
Journal: Int. J. Quantum Chem
Metadata:
| Title: | Complex_10_HS_b3lyp |
| Authors: | Vlahovic, Filip |
| Keywords: | Density Functional Approximations Inorganic Chemistry High-Valent Metal Complexes Spin State Energy |
| Issue Date: | 11-Nov-2019 |
| Publisher: | Department of Chemistry, IChTM, University of Belgrade, Studentski Trg 12-16, 11001 Belgrade, Serbia Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, 11000 Belgrade, Serbia Innovation center of the Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, 11000 Belgrade, Serbia ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain. Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus Montilivi, Facultat de Ciències, 17003 Girona, Spain |
| Description: | [FeIV(O)(H3buea)]– |
| URI: | https://iochem.udg.edu:8443/browse/handle/100/1218 |
| Appears in Collections: | Oxoiron - DOI: 10.19061/iochem-bd-4-10 |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/1218
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