Optimized Basis sets for Calculation of Electron Paramagnetic Resonance Hyperfine Coupling Constants: aug-cc-pVTZ-J for the 3d atoms Sc–Zn
Research output: Contribution to journal › Journal article › Research › peer-review
| Original language | English |
|---|---|
| Journal | Journal of Chemical Theory and Computation |
| Volume | 7 |
| Issue number | 12 |
| Pages (from-to) | 4077 |
| Number of pages | 4,087 |
| ISSN | 1549-9618 |
| DOIs | |
| Publication status | Published - 14 Nov 2011 |
ID: 35330964