Semiclassical transition state theory for chemical reactions: theory, development and applications
<p>Semiclassical Transition State Theory (SCTST) is an efficient rate theory, which aims to calculate the rate constants of chemical reactions, including quantum tunnelling effects, without requiring a global potential energy surface. It has applications in understanding chemical reactions inv...
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| Format: | Thesis |
| Language: | English |
| Published: |
2020
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