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- W1977567462 abstract "On-the-fly surface hopping nonadiabatic photodynamical simulations using hybrid quantum mechanical/molecular mechanical approach of 4-aminopyrimidine were performed to model the relaxation mechanism of adenine within DNA double strand. The surrounding bases do not affect the overall ring-puckering relaxation mechanisms significantly, however, interesting hydrogen-bond dynamics is observed. First, formation of intra-strand hydrogen bonds is found. It is shown that this effect speeds up the decay process. In addition, the Watson–Crick structure is altered by breaking one of the inter-strand hydrogen bonds also leading to a decrease of the life time." @default.
- W1977567462 created "2016-06-24" @default.
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- W1977567462 date "2011-01-01" @default.
- W1977567462 modified "2023-10-16" @default.
- W1977567462 title "Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA" @default.
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- W1977567462 doi "https://doi.org/10.1135/cccc2011046" @default.
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