Characterization of the Chemical Reactivity and Selectivity of DNA Bases Through the Use of DFT-Based Descriptors
作者： Vanessa Labet , Christophe Morell , Vincent Tognetti , Olga A. Syzgantseva , Laurent Joubert
DOI: 10.1007/978-3-642-45149-2_2
关键词: Reactivity (chemistry) 、 DNA damage 、 Nucleobase 、 Pyrimidine dimer 、 Selectivity 、 Computational chemistry 、 Organic chemistry 、 Deamination 、 DNA 、 Chemistry 、 Cytosine
摘要: … that efficiently reacts with nucleophiles generating … nucleophilic and electrophilic attacks. Nonetheless, the sign of the dual descriptor Δf(r) indicates than carbon C5 is more nucleophilic …
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