Isotope and Spin Effects Induced by Compression of Paramagnetic Molecules
The zero-point energies (ZPEs) of paramagnetic molecules, free and compressed in a C<sub>59</sub>N paramagnetic cage, were computed. The excess of energy acquired by molecules under compression depended on the deuterium and tritium isotopes which ranged from 6–8 kcal/mol for H<sub>...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-08-01
|
| Series: | Physchem |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-7167/2/3/18 |