Atomic electronegativity based on hardness and floating spherical Gaussian orbital approach

DOI10.1007/S10910-021-01306-7zbMath1487.81156OpenAlexW3216685345MaRDI QIDQ2118782

Tanmoy Chakraborty, Saroj Devi, Hiteshi Tandon, Martín Labarca, Tanupriya Singh, Varsha Kumari

Publication date: 23 March 2022

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

Full work available at URL: https://doi.org/10.1007/s10910-021-01306-7

zbMATH Keywords

periodicityhardnesselectronegativity equalization principleFSGOreactivity descriptor

Mathematics Subject Classification ID

Reaction-diffusion equations (35K57) Atomic physics (81V45) Chemical kinetics in thermodynamics and heat transfer (80A30) Molecular physics (81V55) Orbital mechanics (70M20)

Related Items (1)

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

Cites Work

• Unnamed Item
• Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index

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