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- W2086410847 abstract "Stabilization energy, as proposed by Parr and Pearson (J. Am. Chem. Soc., 1983, 105, 7512) is decomposed into fragments. When the donor is not a perfect one and both the donor and the acceptor are ordinary organic molecules this decomposition is shown to provide energy fragments which, individually, can be correlated to the reaction rate of that particular step. It is shown how these different energy fragments can be used, together with the global electrophilicity value of the acceptor (wA), to locate the rate-determining step in multi-step reactions." @default.
- W2086410847 created "2016-06-24" @default.
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- W2086410847 date "2009-01-01" @default.
- W2086410847 modified "2023-10-11" @default.
- W2086410847 title "A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactions" @default.
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- W2086410847 doi "https://doi.org/10.1039/b902335f" @default.
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