A fundamental approach to compute atomic electrophilicity index

DOI10.1007/S10910-020-01176-5zbMath1448.81479OpenAlexW3086652996MaRDI QIDQ2201051

Tanmoy Chakraborty, Hiteshi Tandon, 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

zbMATH Keywords

periodicityionization energydensity functional theory (DFT)electron 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

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