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Local reactivity indexes electronic chemical potential

To conclude, we have shown that, despite the complexity of their structural and electronic properties, the reactivity of small metallic clusters can in many cases be understood in simple terms with the use of both global reactivity indexes (ionization potentials, electron affinities, and chemical hardness, which provide a measure of the global cluster reactivity) and local Fukui functions (which allow the identification of special reactive sites within a cluster). All of them can be easily evaluated within the framework of Density Functional Theory. [Pg.133]


See other pages where Local reactivity indexes electronic chemical potential is mentioned: [Pg.145]    [Pg.109]    [Pg.120]    [Pg.516]    [Pg.203]    [Pg.89]    [Pg.563]    [Pg.162]    [Pg.189]    [Pg.520]   
See also in sourсe #XX -- [ Pg.127 ]




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