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The diagram which shows E g has been obtained using density of state (DOS) software.
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Optimized ground-state molecular geometries and an estimation of the lowest energy single electron vertical excitation energies in DMF solutions were obtained using density functional theory (DFT).
Optimized ground-state molecular geometries and estimates of the lowest energy single electron vertical excitation energies in dioxane solutions were obtained using density functional theory (DFT) at the B3LYP/6-31+G d B3LYP/6-31+G d
The relaxed geometries and their corresponding harmonic vibrational frequencies of the base pairs have been obtained using the density functional theory (DFT) with the B3LYP hybrid functional [14] for Pople's 6-311++G d,p) basis set in a vacuum.
Coronal densities have been obtained using the density-sensitive He-like line triplet of O VII, for both the full observation and the final four flares.
Equilibrium geometries, adsorption energies, atomic and molecular charges and electronic densities were obtained using a density functional theory method.
These values were obtained using the density of individual, pure FAME compounds from the database (Lapuerta et al.2010).2010
Measurements were obtained using optical density at 490 nm.
The distributions were obtained using kernel density estimates [ 53] implemented in R [ 54].
Smoothed distributions in figure 2 were obtained using kernel density estimation and a bandwidth of one.
By controlling the laser processing parameters, coatings with lower Young's modulus and higher hardness compared to the substrate, practically free of cracks and with very low porosity were obtained, using energy densities in the range of 24 to 65 J/mm2.
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