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Quantum parameters such as EHOMO, EHOMO and dipole moment are provided in Table 1.
holds where we have the usual relation between two quantum parameters h and q as q = e h.
and different effect quantum parameters (r_{i}/lambda_{mathrm{T}}) and for two interaction potentials (Debye and Deutsch).
To further study the adsorption process, the quantum parameters involving global hardness, the chemical potential, and electronegativity are calculated using Eqs.
The geometrical, chemical reactivity, quantum parameters, adsorption, deformation energy, and molecular electrostatic potential for all selected models are determined and analyzed.
The structural, quantum parameters, adsorption energies, band gaps of HOMO LUMO orbitals, NBO and NMR parameters of the (AI BIV) models have been investigated by using density function theory.
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The effect of quantum parameter on the slow IA double layers is depicted in Fig. 6a.
It can be seen that the double layer structure is highly sensitive to the quantum parameter.
In the second four columns we have listed various values of the quantum parameter.
These results demonstrate the advantage of resonances when performing quantum parameter estimation.
This shows that an increase in the quantum parameter leads to increase of the depth of potential well.
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