Quantum scattering and semiclassical transition state theory calculations on chemical reactions of polyatomic molecules in reduced dimensions
The reduced‐dimensionality procedures have particular advantages in applications to chemical reactions of polyatomic molecules. They make quantum reactive scattering (QRS) calculations feasible for many new reactions and allow for suitable potential energy surfaces (PESs) to be produced with minimal...
| Main Authors: | , , |
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| Format: | Book section |
| Language: | English |
| Published: |
Wiley
2018
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