Properties of reactive oxygen species by quantum Monte Carlo
The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different fields of chemistry, biology, and atmospheric science. Nevertheless, the electronic structure of such species is a challenge...
| Main Authors: | , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Institute of Physics
2014
|
| Online Access: | http://hdl.handle.net/1721.1/91583 https://orcid.org/0000-0003-1417-9470 |