Sentence examples for modelling calculations based from inspiring English sources

Molecular modelling calculations based on the AMBER 3.0 force field show that, in fact, the polypropellane backbone is considerably rigid.

Model calculations based on the quantum molecular dynamics are performed.

Simple model calculations based on the permeability of the water vapor well predicted the experimental results.

Model calculations based on Miedema's approach failed to yield reasonable results.

We previously warned against model calculations based on essential oil analyses in the context of thujone estimation in absinthe [9].

Model calculations based on gas phase photochemical theory quantitatively agree with observations.

Our arguing is supported by model calculations based on the nextnano3 code that allow to estimate the dimensions and the Ge content (∼70%) of such inclusions.

Model calculations, based on the Butler-Volmer equation to simulate the nonlinearity of the electrochemical cell and experimental impedance spectra measurements are described.

Model calculations, based on a pseudo-homogeneous approach with no use of fitting parameters, are in good agreement with the experimental data.

Model calculations based on these considerations yield the potential dependent OH-adsorption, the N-shaped current/voltage curves and current oscillations that agree well with the experimental findings.

The EMA [4] provided model calculations based on analytical data on essential oil yield and essential oil composition of Salvia officinalis folium using results from the study conducted by Länger et al. [8].