Semiclassical transition state theory for chemical reactions
<p>First-principles calculations of chemical reaction rate constants have useful applications in a variety of areas. Quantum reactive scattering approaches are the most accurate, but their computational costs scale significantly with system size. Semiclassical Transition State Theory (SCTST) c...
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| פורמט: | Thesis |
| שפה: | English |
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2016
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