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Showing 1 to 2 of 2 for “"local softness"”.
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Chemical Softness as a Predictor for Reactivity at Metal Surfaces
… be applied to metal surfaces and adsorbates. The local softness is a reactivity index based on Pearson’s theory of hard and soft acids and bases. It is the derivative of the local electron density with respect to the chemical potential, at constant external electric potential. It can be calculated …
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Assessment of Reactivity Descriptors for the Study of Chemical Reactions
… chemical potential, global hardness and global softness are used to discuss the reactive behavior of one single molecule or a set of related molecules, providing reactivity sequences for the latter. The Fukui function is used as an intra-molecular descriptor, whereas the local softness can …