A new DFT functional based on spin-states and SN2 barriers.
Saved in:
| Title: | A new DFT functional based on spin-states and SN2 barriers. |
|---|---|
| Authors: | Swart, M.1, Solà, M.2, Bickelhaupt, F. M.3 |
| Source: | AIP Conference Proceedings. Dec2012, Vol. 1504 Issue 1, p703-706. 4p. 2 Graphs. |
| Database: | Academic Search Ultimate |
| ISSN: | 0094243X |
|---|---|
| DOI: | 10.1063/1.4771792 |