electric potential

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electric potential

the potential difference between charged particles. See also potential.
References in periodicals archive ?
The DFT simulations of benzothiazine derivative were performed not only to theoretically simulate single crystal XRD results, but also to explore structural properties like frontier molecular orbital analysis (FMOs), chemical reactivity indices and molecular electrostatic potential (MEP).
Once obtained the optimized structures of compounds, an electronic analysis using molecular electrostatic potentials (MEPs) were performed (Fig.
In the electrostatic potential field of diamond (Figure 5a) the surfaces totally involves the crystalline structure, preventing chemical attacks from species different to carbon atoms indicating high stability of the crystallographic structure.
335] protein possesses a more equilibrated electrostatic potential, whereas [HN-E.
Even though the electrostatic potential between the cloud and the ground that initiated breakdown is shorted and no longer can sustain the original breakdown voltage, the circulating air currents continue to charge the cloud.
To investigate the basis for the suggested interindividual genetic susceptibility to CBD, we constructed three-dimensional structural models of HLA-DP representing several distinct allotypes and calculated the electrostatic potential on the surface of these models.
Some of the other structural properties of the compound like coefficients of HOMO and LUMO, molecular electrostatic potential and Mulliken charges were also determined
The reaction path was determined successfully by calculating Electrostatic Potential Maps (ESP) for the selected systems.
BD simulations determined the potential of mean force and average electrostatic potential of GAPDH mutants in the F-actin electric field as function of the reaction coordinate [R.
Kubista, Characterization of Fluorescein-Oligonucleotide Conjugates and Measurement of Local Electrostatic Potential, Biopolymers 46, 445-453 (1998).
Molecular electrostatic potential (MEP) is a useful tool to study the structure-reactivity relationship of the molecules.
Besides, the molecular electrostatic potential (MEP) and the frontier molecular orbital (FMO) analysis of the compounds were investigated by theoretical calculations.

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