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Surface roughness was calculated using atomic force microscopy (AFM).
Theoretical XAS and XMCD spectra for the M4,5 absorption of trivalent and divalent Eu ions were calculated using atomic multiplet theory22.
The surface chemical composition was calculated using atomic sensitivity factors included in the software of the spectrometer corrected for the transfer function of the instrument.
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DAPK experimental hydrodynamic radius value in buffer favoring the monomeric form of the protein (RHe = 2.13 nm) is within the calculated gyration (Rg) and Stockes (RHc) radii values calculated using the atomic coordinates of the monomeric form (Rg = 2.04 nm and RHc = 2.65 nm, Table 2).
Chemical compositions and temperature are calculated using the atomic molar balance and the adiabatic flame temperature equations.
Besides, this explanation is confirmed by the density ρ v of our SiN x films which was calculated using the atomic areal density ρ s, and the film thickness d, obtained by RBS and ellipsometry analyses, respectively, with the following relation: ρ v = ρ s / d.
Dipole distances were calculated using the atomic distance tool in ChemBio3D Ultra 11.0.
This should be compared with Figure 11 which shows the conduction paths in α-AgI calculated using the atomic coordinates of the published crystal structure.
The 1H- and 13C-NMR chemical shifts were calculated using gauge independent atomic orbitals (GIAO) method, which showed good correlations with the experimental data (R2 = 0.9911 0.9965).
On the basis of the DNA and platinum concentrations, the platinum-nucleotide ratio was calculated using the relative atomic mass of platinum (A r (platinum) =195.1) and the relative molecular mass of nucleotides (M r (nucleotide) =330).
These atomic-level molecular descriptors were calculated using a weighting scheme that includes four atomic labels, namely atomic masses, van der Waals volumes, atomic polarizabilities, and atomic electronegativities in Pauling scale.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com