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Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons58410

Barbatti,  M.
Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Group Barbatti, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Szymczak, J. J., Barbatti, M., & Lischka, H. (2011). Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry, 111, 3307-3315. doi:10.1002/qua.22978.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-8CB3-1
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