Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study
作者： Pratim Kumar Chattaraj , Ranjita Das , Soma Duley , Jean-Louis Vigneresse , None
DOI: 10.1007/S00214-012-1089-Y
关键词:
摘要: Electrophilicity and hardness have been shown to be adequate in constructing structure-stability diagrams. Maximum principle minimum electrophilicity provide a rough guide toward locating the domains of stability reactivity fitness landscape. Bonding solids, aromaticity, magic alkali clusters, bond—stretch isomers, multivalent superatoms, etc. analyzed within this purview.
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