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Nonadiabatic photodissociation dynamics of indole using multi-configuration time-dependent Hartree method

Soumyadip Ray1, Sudip Sasmal2, Padmabati Mondal1

  • 1Department of Chemistry and Center for Atomic, Molecular, and Optical Sciences and Technologies (CAMOST), Indian Institute of Science Education and Research (IISER), Tirupati, India.

The Journal of Chemical Physics
|October 13, 2025
PubMed
Summary

Indole photodissociation dynamics reveal N-H bond fission is controlled by non-adiabatic coupling. This study clarifies the ultrafast N-H stretching dynamics and internal conversion processes in indole.

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