Read the article 'Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity
of the Atoms under Compression' in the Journal of the American Chemistry Society.
Chemical hardness (n) measures the resistance of an atom to a charge transfer , chemical hardness, chemical potential (u) and electronegativity
(X) can be calculated with the help of the following equations from EHOMO and ELUMO :
By assuming the carbonyl group as the proton receptor, it must be worthy to notice that the resulting atomic electronegativity
encompasses this functional group not singly but wholly (C=O).
represents the ability of molecules to attract electrons.
The absolute electronegativity
([chi]) and global electrophilicity ([omega]) of BFC were 0.0454 and 0.2094 which indicated the stability and reactivity of inhibitor molecule.
This is in line with the case of Cu doping and supports our hypothesis that the electronegativity
of the foreign elements is the key factor.
Hydrogen bonds contribute to contact angle changes, and they are formed by the high electronegativity
in oxygen with the more positive hydrogen.
Dixon, "Ionization potential, electron affinity, electronegativity
, hardness, and electron excitation energy: molecular properties from density functional theory orbital energies," The Journal of Physical Chemistry A, vol.
We can expect here weak hydrogen bonds which are formed when the hydrogen atom is covalently bonded to a slightly more electronegative atom relative to hydrogen; the electronegativity
of carbon of 2.55 is only slightly higher than that of hydrogen, that is, 2.20, according to the Pauling electronegativity
DFT  has been found to be successful in providing theoretical insights into the chemical reactivity and selectivity, using chemical concepts such as electronegativity
([chi]), hardness ([eta]), softness (S), electrophilicity index ([omega]), and local reactivity descriptors including Fukui functions f(r) and the local softness s(r).
Antibacterial activities of 2a-c increased with the decrease in electronegativity
of substituent on chalcone.
Fluoride ion sensing is highly challenging due to the high electronegativity
of fluorine and its small size.