Temperature-Resolved Anisotropic Displacement Parameters from Theory and Experiment: A Case Study
Anisotropic displacement parameters (ADPs) for an organopalladium complex were obtained from synchrotron diffraction data between 100 and 250 K and compared to the results from first-principles calculations at the harmonic approximation. Calculations and experiments agree with respect to the orienta...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-02-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/12/2/283 |