electronegativity
National Institutes of Health
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The chemical potential is by definition constant in molecules, and electronic charge is in principle equilibrated by bonding…
The strict Wigner-Witmer symmetry constraints on chemical bonding are shown to determine the accuracy of electronegativity…
Toward engineering high performance anode alloys for Li-ion batteries, we proposed a useful method to quantitatively estimate the…
The anionic S(N)2 reactions at neutral nitrogen, Nu(-) + NR(2)Cl → NR(2)Nu + Cl(-) (R = H, Me; Nu = F, Cl, Br, OH, SH, SeH, NH(2…
A new aromaticity definition is advanced as the compactness formulation through the ratio between atoms-in-molecule and orbital…
The behavior of electrons in general many-electronic systems throughout the density functionals of energy is reviewed. The basic…
Recently, we have proposed a new unconventional scheme of electronegativity equalization. We assume that atomic…
Calculations of molecules PhXMe (X = O, S, Se) in MP2(f)/6-31G(d) approximation were performed. The stationary points on the…