The dynamical role of solvent on the ICN photodissociation reaction: connecting experimental observables directly with molecular dynamics simulations.

@article{Rivera2011TheDR,
  title={The dynamical role of solvent on the ICN photodissociation reaction: connecting experimental observables directly with molecular dynamics simulations.},
  author={Christopher A Rivera and Nicolas D Winter and Rachael V Harper and Ilan Benjamin and Stephen E Bradforth},
  journal={Physical chemistry chemical physics : PCCP},
  year={2011},
  volume={13 18},
  pages={8269-83}
}
The ICN photodissociation reaction is the prototype system for understanding energy disposal and curve crossing in small molecule bond-breaking. The wide knowledge base on this reaction in the gas phase makes it an excellent test case to explore and understand the influence of a liquid solvent on the photo-induced reaction dynamics. Molecular dynamics simulations that include surface-hopping have addressed numerous aspects of how the solvent should influence non-adiabatic transitions and energy… CONTINUE READING
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Bradforth, 2011, in preparation

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