Výsledky vyhledávání - "Chemical reaction dynamics"

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Chemical Reaction Dynamics under Vibrational Strong Coupling

Autor: Hunt, Andrew C.

In this thesis, we use classical, semi-classical and quantum-mechanical methods to simulate chemical reaction dynamics inside of an optical cavity. Within such a cavity, by selectively coupling vibrational modes of the reactants to the vacuum state o

Externí odkaz: http://arxiv.org/abs/2402.04256

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Low-Dimensional Projection of Reactive Islands in Chemical Reaction Dynamics Using a Supervised Dimensionality Reduction Method

Autor: Tanaka, Ryoichi, Mizuno, Yuta, Tsutsumi, Takuro, Toda, Mikito, Taketsugu, Tetsuya, Komatsuzaki, Tamiki

Publikováno v: J. Chem. Phys. 161, 154103 (2024)

Transition state theory is a standard framework for predicting the rate of a chemical reaction. Although the transition state theory has been successfully applied to numerous chemical reaction analyses, many experimental and theoretical studies have

Externí odkaz: http://arxiv.org/abs/2403.04128

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