UCA-FUKUI TUTORIAL. Local reactivity indices in the context of c-Density Functional Theory.
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YouTubeJesús Sánchez-Márquez
UCA-FUKUI TUTORIAL. Local reactivity indices in the context of c-Density Functional Theory.
The property-oriented basis set 6-311Gxx(d,p) can be found and downloaded from the Basis Set Exchange (BSE, https://www.basissetexchange.org/). The reference for the publication where the details of how this basis set was optimized and its characteristics can be found is: On Electronegativity, Hardness, and Reactivity Descriptors: A New ...
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