| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379561 | Chemical Physics Letters | 2015 | 5 Pages |
Abstract
- A 3-D 'g-tensor density' can be used to visualize effects on the g-tensor.
- This has been implemented for a 4-component g-tensor methodology.
- Breakdown into terms from different MOs or operators in the calculation is possible.
- We can thus visualize changes to the g-tensor caused by solvation environment.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
James R. Asher, Vladimir G. Malkin, Olga L. Malkina,