Sentence examples for In calculation with from inspiring English sources

Therefore, we performedadditional calculations using a fitted hybrid meta-GGA functional with 54% HFexchange - M06-2X, specially developed to describe main-group thermochemistryand non-covalent interactions, in combination with a large basis set, def2TZVP.The latter basis set was used also in calculation with the B3LYP functional andHartree-Fock method.

At a radius of 50 micrometer, the results of the two methods coincide but at higher radii; the open symbols show lower flow rates because turbulent flow is taken into account in calculations with COMSOL Multiphysics.

This model was considered with a transition-transversion ratio k = 1, and it was only used in calculations with the mean-field model, and not in SCN simulations.

In calculations with the B3LYP and PBE0 functionals, the HOMO/LUMO transition contributes with more than 99%% for the whole DMA- nT series (for B3LYP, this value was in most cases even above 99.9 %).

Historical success in the competition will also be acknowledged in coefficient calculation with points awarded for European titles, while financial distribution to clubs will be increased significantly for the Champions League and Europa League.

Results indicate differences between children with DD and controls in approximate calculation with dyscalculic children exhibiting weaker activation in almost the entire neural network.

In the calculation with alanine scanning, the positive and negative relative values in Figure 4 indicate the unfavorable and favorable for alanine substitution, respectively.

Prominent plasmon damping processes are included in the calculation with models taken from ref. 30.

In contrast, calculation with soot formation provides better agreement with the experiment.

However, in the calculation with γ = 2, the position of the peak maximum must depend on the concentration of the components.

Table 4 lists the molecular properties of pure components of this gas liquid equilibrium [19], which are used in the calculation with SRK equation of state.