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Simulation of intersystem crossing using direct nuclear wavepacket dynamics in thioformaldehyde, suggesting new insights into non-radiative processes.
The non-radiative photophysical phenomenon known as intersystem crossing is simulated, for the first time, in fully coupled direct nuclear wavepacket dynamics based on Gaussian basis functions (DD-vMCG method). As a...
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Saha et al. (2026) studied this question.
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