The beam-wave interaction calculations, power and frequency growth estimation are performed by using PIC code MAGIC.
Furthermore, the developed microstructures were assessed in terms of the effective nanotube volume derived from Monte Carlo (MC) calculations and the frequency of nanotube-nanotube contacts.
Mixed food items were each allocated a proportion, which was then included in the relevant recall food group calculations for weight and frequency.
Gabor features are widely employed in head-pose estimation for their advantages in the calculation of orientation and frequency.
A moderate basis set, 6-311G d, p), was used for optimization and frequency calculations, followed by single-point calculations with a larger 6-311++G 2df,2p) basis set to obtain more accurate energetics.
Statistical analysis employed descriptive calculations including frequency and proportions, means, and standard deviations in developing a general profile of PIRC patients.
Geometry optimizations and frequency calculations of the reactants, transition states, and products were performed at B3LYP/BS level for the four catalytic reaction channels.
Energy minimizations and frequency calculations were performed with both the SP-GGA and SP-GGA+U methods in most cases (only the extraordinarily long frequency calculations for the larger models were not repeated with SP-GGA+U).
The geometry optimizations and frequency calculations of all species in this study, such as reactants, intermediates, transition states (TS) and products, were carried out at B3LYP/6-31 B3LYP/6-31.
In Gaussian 09, geometry optimizations and frequency calculations were performed in vacuo with B3LYP density functional using 6-311G + (2d,p) basis set [23, 24].
