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Junction potentials were calculated using the calculator supplied with pClamp 9.0 software (Molecular Devices, Sunnyvale, CA, USA), and the voltage offset was corrected prior to seal formation.
(A) Surface electrostatic potentials were calculated for FGF1 (top) and FGF18 (bottom).
Optimized structures, molecular graphs, adsorption energies (AE), dispersion corrected AEs, H-L gap, NBO charges, charge transfer values, density of states and electrostatic potentials were calculated.
Figure 10 shows a comparison of the refitted [22] AIREBO and REBO H-graphene potentials with that of SCC-DFTB shown in Figure 2. The CMD potentials were calculated using a 480-atom graphene cluster, i.e., no periodic boundary conditions.
The chemical potentials of Si and C were calculated for their respective diamond fcc structures, whereas the O and H chemical potentials were calculated for their molecular states (O2 and H2) using the same parameters as described in the previous section.
Furthermore, the electrostatic potentials were calculated using DELPHI [34] with default parameters setting in CHIMERA [35].
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The real space grids for the electrostatic potentials are calculated with the mesh cut-off energy of 10−5eV.
Zeta potentials are calculated from λpore values by means of a space charge model and compared to those calculated from streaming potential measurements.
To achieve this goal highly accurate electrical potentials of rf multipole traps and the resulting effective trapping potentials are calculated using the boundary element method (BEM).
In a second step, the terminating traffic potentials are calculated based on the distribution of industries and recipient structure of these industries.
Second, the equilibrium potentials are calculated dynamically using the Nernst equation.
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