Abstract
We present the first method that combines molecular quantum dynamics of the solute with classical molecular dynamics of the solvent. Its mechanical impact on the ultrafast internal motions is decisive for the reaction outcome.
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References
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© 2015 Springer International Publishing Switzerland
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Thallmair, S., Zauleck, J., de Vivie-Riedle, R. (2015). Quantum Dynamics of Molecular Reactions Directed by Explicit Solvent Environment. In: Yamanouchi, K., Cundiff, S., de Vivie-Riedle, R., Kuwata-Gonokami, M., DiMauro, L. (eds) Ultrafast Phenomena XIX. Springer Proceedings in Physics, vol 162. Springer, Cham. https://doi.org/10.1007/978-3-319-13242-6_91
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DOI: https://doi.org/10.1007/978-3-319-13242-6_91
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