Modeling Photodissociation: Quantum Dynamics Simulations of Methanol
Abstract: A comprehensive computational study of the gas-phase photodissociation dynamics of methanol is presented.
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Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone
- Olivia Bennett, Antonia Freibert, K. Eryn Spinlove and Graham A. Worth
- Prediction challenge , Publication
Abstract: Quantum dynamics simulations are becoming a standard tool for simulating photo- excited molecular systems involving a manifold of coupled states, known as non- adiabatic dynamics.
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