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...
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| Format: | Thèse |
| Langue: | English |
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2020
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