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.