Structural and Optical Properties of Metal-Nitrosyl Complexes
The electronic, structural and optical properties (including Spin−Orbit Coupling) of metal nitrosyl complexes [M(CN)<sub>5</sub>(NO)]<sup>2−</sup> (M = Fe, Ru or Os) are investigated by means of Density Functional Theory, TD-DFT and MS-CASPT2 based on an R...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-10-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/24/20/3638 |