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• W4236058936 abstract "The concept of net electrophilicity (electroaccepting power relative to electrodonating power) is introduced. It provides expected trends in most cases. A net electrophilicity scale is presented. Various reactivity descriptors for 32 molecules are calculated at the B3LYP/6-311+G(d) level of theory. Profiles of net electrophilicity along the reaction paths of thermoneutral, exothermic, endothermic, and cycloaddition reactions are analyzed. Net electrophilicity often attains its minimum value for a stable state or a favorable reaction." @default.
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• W4236058936 date "2009-08-24" @default.
• W4236058936 modified "2023-10-18" @default.
• W4236058936 title "Net Electrophilicity" @default.
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• W4236058936 doi "https://doi.org/10.1021/jp904674x" @default.
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