A fundamental approach to compute atomic electrophilicity index

DOI10.1007/S10910-020-01176-5zbMATH Open1448.81479OpenAlexW3086652996MaRDI QIDQ2201051FDOQ2201051

Authors: Hiteshi Tandon, Tanmoy Chakraborty, Vandana Suhag 

Publication date: 24 September 2020

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

Full work available at URL: https://doi.org/10.1007/s10910-020-01176-5

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zbMATH Keywords

periodicitydensity functional theory (DFT)ionization energyelectron affinityelectrophilicity equalization principle (EEP)

Mathematics Subject Classification ID

General topics in linear spectral theory for PDEs (35P05) Atomic physics (81V45) Computational density functional analysis in statistical mechanics (82M36)

Cites Work

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

Cited In (1)

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

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