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Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier

Bredtmann, Timm and Kono, Hirohiko and Manz, Jörn and Nakamura, Kosuke and Stemmle, Christian – 2013

Pericyclic reactions with energies E well above the potential energy barrier B (case E>B) proceed with quantum nuclear flux densities 〈j〉 which are essentially proportional to the nuclear densities ρ in the femtosecond time domain. This corresponds to the definition of classical (cl) mechanics, jcl=υclρcl, with almost constant velocity vcl. For the other case E

Title
Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier
Author
Bredtmann, Timm and Kono, Hirohiko and Manz, Jörn and Nakamura, Kosuke and Stemmle, Christian
Date
2013
Identifier
DOI: 10.1002/cphc.201200943
Source(s)
Citation
Chem. Phys. Chem. 2013,14, 1397-1404