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Quantum Dynamics in an Explicit Solvent Environment: A Photochemical Bond Cleavage Treated with a Combined QD/MD

Sebastian Thallmair1,2, Julius P P Zauleck1, Regina de Vivie-Riedle1

  • 1Department Chemie, Ludwig-Maximilians-Universität München , D-81377 München, Germany.

Journal of Chemical Theory and Computation
|November 18, 2015
PubMed

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