Sentence examples for calculations of the partial from inspiring English sources

The protocol of the restricted electrostatic potential fitting, as implemented in the Antechamber module of the AMBER 10 package [31], was used for calculations of the partial atomic charges of (R)- or (S -BAY73-6691 at the ab initio HF/6-31G* level.

Then, the sensitivity of the inductor characterization to the model parameter variations is obtained through a simulation-based approach, where the Richardson extrapolation technique is used for the calculation of the partial derivatives.

RM provided the calculation of the partial charges.

In the method of Interpolation filtering, the calculation of the partial derivative can be omitted.

This data fusion is more time consuming and needs extra hardware for calculation of the partial positions.

And also the calculation of the partial charges indicated that organic molecules produced form oxidation are trapped on the surface of the electrode.

The AM1 semiempirical method was applied for geometrical optimization and calculation of the partial atomic charges.

This was based on the calculation of the partial volume effect resulting from the spatial resolution of the camera system.

TpsRW allowed calculation of the partial warp and uniform scores that denote the differences in body shape among the individuals.

The AECC criteria for ALI and ARDS include acute respiratory failure and require calculation of the partial pressure of oxygen (PaO2)/fraction of inspired oxygen (FiO2) ratio [ 1].

Robust standard errors were specified to allow for the clustering by animal and the Efron method was used for handling ties in the calculation of the partial likelihood.