Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study

Chattaraj, Pratim Kumar ; Das, Ranjita ; Duley, Soma ; Vigneresse, Jean-Louis (2012) Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study Theoretical Chemistry Accounts, 131 (2). ISSN 1432-881X

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Official URL: http://doi.org/10.1007/s00214-012-1089-y

Related URL: http://dx.doi.org/10.1007/s00214-012-1089-y

Abstract

Electrophilicity and hardness have been shown to be adequate in constructing structure-stability diagrams. Maximum hardness principle and minimum electrophilicity principle provide a rough guide toward locating the domains of stability and reactivity in a fitness landscape. Bonding in solids, aromaticity, magic alkali clusters, bond—stretch isomers, multivalent superatoms, etc. have been analyzed within this purview.

Item Type:Article
Source:Copyright of this article belongs to Springer Nature Switzerland AG
Keywords:Electrophilicity;Hardness;Structure;Stability;Reactivity
ID Code:133822
Deposited On:30 Dec 2022 09:35
Last Modified:30 Dec 2022 09:35

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