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- W2023752824 endingPage "202" @default.
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- W2023752824 abstract "The full significance and range of applications of Ī(r) continue to be explored. When computed on molecular surfaces, it is clearly an effective tool for interpreting and predicting reactivity toward electrophiles, in solution as well as in the gas phase. There are indications that this effectiveness can be increased by combining ĪS,min with VS, min, the most negative values of the electrostatic potential on the molecular surface. ĪS,min can also be used to characterize, and hence identify, certain types of chemical bonds. Finally, Ī(r) computed within the internal regions of atoms has been found to reflect the detailed distributions of the electrons. This suggests that analogous analyses of molecules might be fruitful; for example, it might be interesting to examine the variation of Ī(r) along internuclear axes. Such studies are in progress." @default.
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- W2023752824 date "1998-01-01" @default.
- W2023752824 modified "2023-09-27" @default.
- W2023752824 title "Average local ionization energies: Significance and applications" @default.
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- W2023752824 doi "https://doi.org/10.1016/s1380-7323(98)80009-5" @default.
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