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- W2146998240 abstract "In this communication, a very simple method is proposed to calculate the potential energy profile of a reaction step for a system in its first electronic excited state. It is based on an extension of the Grochala–Albrecht–Hoffmann rule. Theoretical arguments supporting this extension are given. The proposed method is validated on two examples that are interesting from a biological point of view: photocycloadditions [2+2] involved in the formation of pyrimidic dimers under DNA exposition to UV radiation." @default.
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- W2146998240 date "2010-01-01" @default.
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- W2146998240 title "Extending the ‘Grochala–Albrecht–Hoffmann approximation’ to the determination of the first excited state potential energy profile of a reaction step" @default.
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- W2146998240 doi "https://doi.org/10.1016/j.cplett.2009.12.060" @default.
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