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...
| Автор: | |
|---|---|
| Інші автори: | |
| Формат: | Дисертація |
| Мова: | English |
| Опубліковано: |
2020
|
| Предмети: |