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Pedro J Castro Pelaez
Pedro J Castro Pelaez
Electronic structure
Crotonaldehyde
Surface hopping
Photochemistry
Isomerization
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Non-adiabatic dynamic of atmospheric unimolecular photochemical reactions of 4,4-difluoro-crotonaldehyde using TD-DFT and TSH approaches
2021
Pedro J Castro Pelaez
Satoshi Maeda
Keiji Morokuma
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