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Mulliken charges arise from the Mulliken population analysis[1][2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear ...
Electron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron ...
Partial charge. In atomic physics, a partial charge (or net atomic charge) is a non- integer charge value when measured in elementary charge units. It is represented by the Greek lowercase delta (𝛿), namely 𝛿− or 𝛿+. Partial charges are created due to the asymmetric distribution of electrons in chemical bonds.
In chemistry, a formal charge (F.C. or q*), in the covalent view of chemical bonding, is the hypothetical charge assigned to an atom in a molecule, assuming that electrons in all chemical bonds are shared equally between atoms, regardless of relative electronegativity. [1][2] In simple terms, formal charge is the difference between the number ...
In atomic physics, the effective nuclear charge is the actual amount of positive (nuclear) charge experienced by an electron in a multi-electron atom. The term "effective" is used because the shielding effect of negatively charged electrons prevent higher energy electrons from experiencing the full nuclear charge of the nucleus due to the repelling effect of inner layer.
q n = positive charge of the atomic nucleus; q a = positive charge of the alpha particles; m = mass of an alpha particle; v = velocity of the alpha particle; Rutherford scattering cross-section is strongly peaked around zero degrees, and yet has nonzero values out to 180 degrees. This formula predicted the results that Geiger measured in the ...
Mass-to-charge ratio. Beam of electrons moving in a circle in a Teltron tube, due to the presence of a magnetic field. Purple light is emitted along the electron path, due to the electrons colliding with gas molecules in the bulb. Mass-to-charge ratio of the electron can be measured in this apparatus by comparing the radius of the purple circle ...
Charge transfer coefficient. Charge transfer coefficient, and symmetry factor (symbols α and β, respectively) are two related parameters used in description of the kinetics of electrochemical reactions. They appear in the Butler–Volmer equation and related expressions. The symmetry factor and the charge transfer coefficient are ...