Sentence examples for computational calculations from inspiring English sources

The computational calculations showed that the calculated frequencies of the νOH vibrations of compounds 8a-l (3335 and 3345 cm-1) were higher than that of the experimental spectra, where these vibrations appeared as very broad and weak absorptions.

Although Dr. Garabedian's biggest academic contributions were in computational calculations, "he never wrote a computer program himself," Dr. Jameson recalled about their collaborations in the 1970s.

Despite the computational calculations in that folded facade, Williams emphasized that "we started out from the interior and worked our way out, as we always do".

However, this approach requires large computational calculations.

All computational calculations were conducted at a modest reaction temperature of 298.15 K at 1 atmosphere.

The structural results were supported by Density Functional Theory (DFT) computational calculations.

ANSYS ICEM CFD and ANSYS CFX are used for the grid generation and the computational calculation.

Sensitivity of refractive index of the hybrid nanoparticles array was obtained by the computational calculation and experimental detection.

Figure 1 illustrates a computational calculation that shows how the output power of an a-Si-based pin cell varies with intrinsic layer thickness.

For the computational calculation, the longitudinal acoustic mode (LAM) frequency of silk systems having three different c-axis dimensions were calculated.

The computational calculation on Aza-BODIPY 5 and 6 was performed, which reveals that electron density transfers from ferrocene (donor) to azabodipy (acceptor) core and the photophysical properties are in good agreement with the computational data.