Chemical action and chemical bonding |
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| Authors: | Mihai V. Putz |
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| Affiliation: | aLaboratory of Computational and Structural Physical Chemistry, Chemistry Department, West University of Timişoara, Str. Pestalozzi No. 16, Timişoara, RO-300115, Romania |
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| Abstract: | New chemical bonding paradigm in terms of chemical action functional and of its reformulations by means of electronegativity, linear response and density softness kernels is advanced; it makes no use of traditional molecular orbital bonding analysis while providing reliability in identifying the bonding regions through appropriate specialization of the chemical action variational (conservation) principle along the bond length. |
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| Keywords: | Variational principle Electronegativity Density functional softness Density functional hardness Electronic response function |
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