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• W2560376549 endingPage "758" @default.
• W2560376549 startingPage "754" @default.
• W2560376549 abstract "The Diels–Alder reactivity of C59NH azafullerene has been explored computationally. The regioselectivity of the process and the factors controlling the reduced reactivity of this system with respect to the parent C60 fullerene have been analyzed in detail by using the activation strain model of reactivity and the energy decomposition analysis method. It is found that the presence of the nitrogen atom and the CH fragment in the fullerene reduces the interaction between the deformed reactants along the entire reaction coordinate." @default.
• W2560376549 created "2016-12-16" @default.
• W2560376549 creator A5009883474 @default.
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• W2560376549 date "2016-12-15" @default.
• W2560376549 modified "2023-10-15" @default.
• W2560376549 title "Predicting and Understanding the Reactivity of Aza[60]fullerenes" @default.
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• W2560376549 doi "https://doi.org/10.1021/acs.joc.6b02424" @default.
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