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Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection.

Benoit Mignolet1,2, Basile F E Curchod1,2, Todd J Martínez1,2

  • 1Department of Chemistry and the PULSE Institute, Stanford University, Stanford, CA, 94305, USA.

Angewandte Chemie (International Ed. in English)
|October 27, 2016
PubMed
Summary

Excited-state reactions can produce diverse products through nonstatistical pathways. This study reveals that a single conical intersection in sulfines leads to nine distinct products via athermal hot ground state reactions within a picosecond.

Keywords:
ab initio multiple spawning (AIMS)excited-state dynamicsmolecular dynamicsoxathiiranephotochemistry

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