Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor

DOI10.1007/S10910-023-01494-4OpenAlexW4385284788MaRDI QIDQ6081461

Martín Labarca, Tanmoy Chakraborty, Dimple Kumari, Saloni Saloni

Publication date: 5 October 2023

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

Full work available at URL: https://doi.org/10.1007/s10910-023-01494-4

zbMATH Keywords

electronegativityelectronegativity equalization principleFSGOinternuclear bond distancecompressibility index

Mathematics Subject Classification ID

Nuclear physics (81V35) PDEs in connection with biology, chemistry and other natural sciences (35Q92) Electromagnetic interaction; quantum electrodynamics (81V10) Atomic physics (81V45) Molecular physics (81V55) Orbital mechanics (70M20) Motion of charged particles (78A35) Compressibility effects in hydrodynamic stability (76E19)

Cites Work

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