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- W4214526036 abstract "The importance of intersystem crossing dynamics for the O(P3)+C2H2 reaction is demonstrated in this work. A direct dynamics trajectory surface hopping method has been employed to study the intersystem crossing effects. Our study reveals that there is a significant contribution from the spin nonconserving route to the chemical dynamics of the O(P3)+C2H2 reaction, despite small spin-orbit coupling constant values (<70 cm−1)." @default.
- W4214526036 created "2022-03-02" @default.
- W4214526036 date "2010-07-07" @default.
- W4214526036 modified "2023-10-16" @default.
- W4214526036 title "10.1063/1.3454727.1" @default.
- W4214526036 doi "https://doi.org/10.1063/1.3454727.1" @default.
- W4214526036 hasPublicationYear "2010" @default.
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