Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study

DOI10.1007/S10910-022-01376-1MaRDI QIDQ2160348zbMATH OpenOpenAlexFDO

Authors Dimple Kumari, Hiteshi Tandon, Martín Labarca, Tanmoy Chakraborty, Kumari Saloni

Publication date 3 August 2022

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-022-01376-1

zbMATH Keywords

Fermi energyelectronegativityatomic potentialelectronegativity equalization principlecovalent potentialFSGO approachinternuclear bond distance

Mathematics Subject Classification ID

Nuclear physics (81V35) Electromagnetic interaction; quantum electrodynamics (81V10) Atomic physics (81V45) Orbital mechanics (70M20) Fermionic systems in quantum theory (81V74)

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Cites work

• Atomic electronegativity based on hardness and floating spherical Gaussian orbital approach

Cited in

(6)

• Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
• Atomic electronegativity based on hardness and floating spherical Gaussian orbital approach
• Theorem on rates of alignment of electronegativities of atoms in the process of formation of a chemical bond in a binary molecule
• Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor
• A fundamental approach to compute atomic electrophilicity index
• Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies

Describes a project that uses

Uses Software

• GAUSSIAN

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