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Transition state theory for solvated reactions beyond recrossing-free dividing surfaces
The accuracy of rate constants calculated using transition state theory depends crucially on the correct identification of a recrossing-free dividing surface. We show here that it is possible to define such optimal dividing surface in systems with non-Markovian friction. However, a more direct appro...
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| Main Authors: | , , , , , |
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| Format: | Default Article |
| Published: |
2016
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| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/21589 |
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