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Browsing Department of Chemistry by Subject "Density-functional theory (DFT)"

Browsing Department of Chemistry by Subject "Density-functional theory (DFT)"

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  • Roy, Ram Kinkar (RSC, 2008)
    The broader applicability of local hardness, [η([r with combining macron])] as a reliable intermolecular reactivity descriptor primarily depends on the removal of its ugraphic, filename = b802966k-t1.gif (N, total number ...

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