Four-Component Relativistic Calculations of NMR Shielding Constants of the Transition Metal Complexes—Part 2: Nitrogen-Coordinated Complexes of Cobalt
Both four-component relativistic and nonrelativistic computations within the GIAO-DFT(PBE0) formalism have been carried out for <sup>15</sup>N and <sup>59</sup>Co NMR shielding constants and chemical shifts of a number of the nitrogen-coordinated complexes of cobalt. It was f...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-10-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1422-0067/23/21/13178 |