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some form of energy of a substance (for chemistry enthalpy H is common), entropy of a substance S; the electronegativity of an atom or chemical bond χ. Usually the symbol for the quantity with a subscript of some reference to the quantity is used, or the quantity is written with the reference to the chemical in round brackets.
Ornstein-Zernike equation with the assumption of spherical symmetry. ρ is the liquid density, r is the separating distance, h(r) is the total correlation function, c(r) is the direct correlation function. h(r) and c(r) are the solutions to the MOZ equations. In order to solve for h(r) and c(r), another equation must be introduced.
In statistics, expected mean squares (EMS) are the expected values of certain statistics arising in partitions of sums of squares in the analysis of variance (ANOVA). They can be used for ascertaining which statistic should appear in the denominator in an F-test for testing a null hypothesis that a particular effect is absent.
Ewald summation, named after Paul Peter Ewald, is a method for computing long-range interactions (e.g. electrostatic interactions) in periodic systems.It was first developed as the method for calculating the electrostatic energies of ionic crystals, and is now commonly used for calculating long-range interactions in computational chemistry.
In mathematics and its applications, the mean square is normally defined as the arithmetic mean of the squares of a set of numbers or of a random variable. [ 1 ] It may also be defined as the arithmetic mean of the squares of the deviations between a set of numbers and a reference value (e.g., may be a mean or an assumed mean of the data), [ 2 ...
The letter Z stands for the German word Zustandssumme, "sum over states". The usefulness of the partition function stems from the fact that the macroscopic thermodynamic quantities of a system can be related to its microscopic details through the derivatives of its partition function.
The concentration of the species LH is equal to the sum of the concentrations of the two micro-species with the same chemical formula, labelled L 1 H and L 2 H. The constant K 2 is for a reaction with these two micro-species as products, so that [LH] = [L 1 H] + [L 2 H] appears in the numerator, and it follows that this macro-constant is equal ...
There are many different effective medium approximations, [5] each of them being more or less accurate in distinct conditions. Nevertheless, they all assume that the macroscopic system is homogeneous and, typical of all mean field theories, they fail to predict the properties of a multiphase medium close to the percolation threshold due to the absence of long-range correlations or critical ...