Electronic fluxes during large amplitude vibrations of single, double and triple bonds
Abstract
We present a time-dependent quantum mechanical analysis of electronic fluxes during large amplitude vibrations of
* Corresponding authors
a
Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin, Germany
E-mail:
bredt@chemie.fu-berlin.de
b Institut für Anorganische und Physikalische Chemie, Universität Bremen, Leobener Str. NW2, 28359 Bremen, Germany
We present a time-dependent quantum mechanical analysis of electronic fluxes during large amplitude vibrations of
T. Bredtmann, E. Hupf and B. Paulus, Phys. Chem. Chem. Phys., 2012, 14, 15494 DOI: 10.1039/C2CP42494K
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