The Role of Vibrational Anharmonicity in the Computational Study of Thermal Spin Crossover
Spin crossover in transition metal complexes can be studied in great detail with computational chemistry. Over the years, the understanding has grown that the relative stability of high-spin (HS) versus low-spin (LS) states is a subtle balance of many factors that all need to be taken into account f...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-09-01
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| Series: | Magnetochemistry |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2312-7481/5/3/49 |