Sentence examples for calculations were used from inspiring English sources

NBO calculations were used to calculate the natural charges at the different atomic sites.

Similar calculations were used to calculate the QALYs associated with MSW and complicated influenza.

The same calculations were used to calculate the export of newly synthesised fatty acids into the plasma TG pool.

Poisson Boltzmann calculations were used to determine surface electrostatic potential.

Equilibrium calculations were used to interpret the experiments.

First principles calculations were used to support the experimental data.

First principles calculations were used to elucidate the possible active sites and reaction pathway.

A combination of finite-element modeling and equivalent-circuit calculations were used.

DFT calculations were used to study the electronic properties of the complexes.

Thermodynamic calculations were used to design the alloys through extrapolations of Gibbs energy expressions.

Density functional theory calculations were used to unravel the mechanism of CO2 electroreduction on SnOx surfaces.