Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adeninea)
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منابع مشابه
Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine.
In spite of the importance of nonadiabatic dynamics simulations for the understanding of ultrafast photo-induced phenomena, simulations based on different methodologies have often led to contradictory results. In this work, we proceed through a comprehensive investigation of on-the-fly surface-hopping simulations of 9H-adenine in the gas phase using different electronic structure theories (ab i...
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تاریخ انتشار 2014