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. 2023 Nov 2;13(46):32217–32222. doi: 10.1039/d3ra04677j

E α,0 , Eβ,0HOMO, Eα,0LOMO, Eβ,0LOMO energies, chemical potential μ, chemical hardness η, softness S°, electrophilicity index ω° and dipole moment μ of the OH˙.

E α,0 −9.74
E β,0 −9.00
E α,0 −1.21
E β,0 −5.07
μ° −7.40
η° 4.67
S° 0.21
ω° 5.87
N 0
Dipole moment 2.07