First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals
Nonadiabatic dynamical processes are ubiquitous in chemistry and biology. Such events are directly connected to the treatment of energetically close lying states which gives rise to strong vibronic interactions in which case the Born-Oppenheimer approximation tends to break down. In case of biradica...
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| Language: | en |
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2012
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| Online Access: | http://hdl.handle.net/10012/6985 |