During MEP mapping, two basic regions red and blue appear which correspond to the extreme value of electrostatic potential
. The nucleophilic site with positive potential is indicated by blue color, while negative potential site favored for electrophilic attack is indicated by red.
By eliminating lower spinor component and by assuming the electrostatic potential
[upsilon](r) to be a constant value [eta], the second-order differential equation can be gotten for upper spinor wave function as
We have discussed the impacts of these different plasma parameters on the shape structure of the envelope soliton by sketching in two dimensions both the small amplitude potential [V.sub.s]([PHI]) versus electrostatic potential
[PHI] and the first perturbed electrostatic potential
[PHI]([zeta]) versus travelling wave parameter [zeta] as represented in Figures 2-5.
The quantum theory of atoms-in-molecules (QTAIM), conceptual DFT, natural population analysis (NPA), and molecular electrostatic potential
(MEP) methods were also employed.
(b) The molecular surface area of different electrostatic potential
interval; the electrostatic potential
interval is divided into 15 equal parts.
Williams, "Representation of the molecular electrostatic potential
by a net atomic charge model," Journal of Computational Chemistry, vol.
Regarding the molecular recognition process between a receptor and a ligand (pharmacodynamics), the electrostatic potential
of the ligand is essential in order the receptor could "feel" the ligand's proximity, from a far distance.
In this paper, we have focused on the anharmonisity of the electrostatic potential
, and investigated the interaction between laser fields and a nano-scale thin film modelled by an electron confined in an electrostatic potential
The spontaneous polarization occurring in the WZ segment in the heterocrystalline superlattice resulted in a macroaveraged electrostatic potential
with the sawtooth-like shape, as shown in Figure 2.
Based on the spectrum of electrostatic potential
, the ligand position or ligand conformation in a hole is observed by using the software MOE as (Figure 1, 2 and 3).
Since cellulose readily interacts with its environment and in a special way with water molecules, it is best to highlight its electronic properties as the electron density, electrostatic potential
field, and molecular orbitals where the reactions take place.