Sentence examples for charges distribution from inspiring English sources

These parameters include the Mulliken atomic charges, distribution of frontier molecular orbital and the Fukui functions [52].

A new method is put forward to calculate the image charges distribution when using image method, which ensures the validity of image method to analyze equipotential cases.

Due to the S-doping into the C-SWNT, the HOMO and LUMO charges distribution is mainly more localized at the sidewall of the tube than the pristine.

The Mulliken atomic charges distribution on Oeq are −0.597, −0.586, and −0.467 at the structures (a), (b), and (d), respectively (Table 2).

The aim of this work is to discuss the partial charges distribution along the carbon nanotubes and describe how they affect in CNTs -lipid bilayer interaction by free energy calculation.

With the S-doping into the C-SWNT, the HOMO and LUMO charges distribution is mainly more localized at the sidewall of the tube and the presence of the unsaturated dangling bond, which are believed to enhance workfunction.

The latter measures deviations from sphericity in the charge distribution.

This is referred to as an unchanged charge distribution.

The behavior of negative and positive charges measured by the PEA method reflected the hetero-charges distribution in EDLCs.

Figure 2 Charge distribution of ab2A activators.

Bond length is in Angstrom, charge distribution is natural charge.