Paradigms and Paradoxes: Fractional and Other Non-integer Charges in Chemistry—an Understanding of Aromaticity
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
https://link.springer.com/content/pdf/10.1007/s11224-022-01877-4.pdf
Reference18 articles.
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3. Balbas LC, Alonso JA, Del Rio LM (1983) Electronegativity of fractionally charged atoms in the density functional theory. Zeit Phys A 312:95–98
4. Sen KD, Seminario JM, Politzer P (1989) Electronegativities and isoelectronic energy and electronegativity differences for monatomic systems with nonintegral nuclear charges: local-spin-density-functional calculations. Phys Rev A 40:2260–2264
5. Dumont E, Chaquin P (2004) The H* method: hydrogen atoms with a fictitious nuclear charge. A versatile theoretical tool for study of atom and group properties as substituents: electronegativity and partition of σ and π contributions, J Mol Struct : Theochem 680:99–106.
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1. Paradigms and paradoxes: can the energy of a π-orbital, εi, equal e or π, or some rational multiple of either number?;Structural Chemistry;2022-06-16
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