Sentence examples for calculation for the surface from inspiring English sources
The total energy with the ZPE correction approaches to the full free energy calculation for the surface reaction under the reaction condition.
Density functional theory calculations for the surface intermediate of this copper-catalyzed process provide mechanistic insight into the effects of the functionalization scheme on surface coverage.
Calculation of the surface electrostatic potentials for AP and Stp1 using a Poisson Boltzmann equation solver reveal positive potentials near the active sites that could contribute to discrimination by preferentially attracting more negatively charged substrates into the active site and thereby favor formation of the enzyme and substrate complex for the more highly charged substrate.
Since these membrane-based space structures are easily deformed by small disturbances, a practical calculation method for the surface configuration of the deformed membranes is required to realize the membrane structures without failure.
After performing this calculation for all the surfaces in succession, the longitudinal distance from the last surface to the intersection point of the emergent ray with the lens axis is found by Corresponding but much more complicated formulas are available for tracing a skew ray, that is, a ray that does not lie in the meridian plane but travels at an angle to it.
This step completes the calculation for the cube's surface area.
It provides a more accurate and faster tool to perform the complicated calculations for the final surface movements and deformations.
Calculations were made for the surface recombination velocities Sf = 107 cm/s and Sf = 0 at the front surface of the CdTe layer.
Possibly, the triaxiality from both methods are correct, simulations for the bulk material and calculations from measurements for the surface, although not equal.
This is because the calculation for electrostatic surface used in Figure 4 figure supplement 2A describes the field in the region, considering the impact from the neighboring residues.
According to the calculation, for the as-prepared Au NPs, the surface coverage is ∼31 CpG ODNs per nanoparticle (Fig. 2d).
