Path-integral methods for non-adiabatic reaction rates
<p>This thesis discusses recent progress in the development of path-integral methods for non-adiabatic reaction rates in large-scale atomistic simulations. Electronically non-adiabatic reactions are important in a wide range of phenomena, including electron transfer in DNA, enzymatic oxygenati...
| Autore principale: | |
|---|---|
| Altri autori: | |
| Natura: | Tesi |
| Lingua: | English |
| Pubblicazione: |
2020
|
| Soggetti: |