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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 ...
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.
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 ...
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 ...
An effective atomic number in this context is equivalent to the atomic number but is used for compounds (e.g. water) and mixtures of different materials (such as tissue and bone). This is of most interest in terms of radiation interaction with composite materials. For bulk interaction properties, it can be useful to define an effective atomic ...
Charge number (denoted z) is a quantized and dimensionless quantity derived from electric charge, with the quantum of electric charge being the elementary charge (e, constant). The charge number equals the electric charge (q, in coulombs) divided by the elementary charge: z = q / e. Atomic numbers (Z) are a special case of charge numbers ...
Nuclear cross sections are used in determining the nuclear reaction rate, and are governed by the reaction rate equation for a particular set of particles (usually viewed as a "beam and target" thought experiment where one particle or nucleus is the "target", which is typically at rest, and the other is treated as a "beam", which is a projectile with a given energy).
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 ...