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A-values are numerical values used in the determination of the most stable orientation of atoms in a molecule (conformational analysis), as well as a general representation of steric bulk. A-values are derived from energy measurements of the different cyclohexane conformations of a monosubstituted cyclohexane chemical. [ 1 ]
The invariance properties of molecular descriptors can be defined as the ability of the algorithm for their calculation to give a descriptor value that is independent of the particular characteristics of the molecular representation, such as atom numbering or labeling, spatial reference frame, molecular conformations, etc. Invariance to molecular numbering or labeling is assumed as a minimal ...
The number density (symbol: n or ρ N) is an intensive quantity used to describe the degree of concentration of countable objects (particles, molecules, phonons, cells, galaxies, etc.) in physical space: three-dimensional volumetric number density, two-dimensional areal number density, or one-dimensional linear number density.
Not surprisingly, S E gives the same ordering of the main group elements as the electronegativity, though it differs in its numerical value from traditional electronegativity scales. Because it is defined in structural terms, S E is the preferred measure of electronegativity in the bond valence model, [ 9 ]
The degree of polymerization, or DP, is the number of monomeric units in a macromolecule or polymer or oligomer molecule. [1] [2] [3]For a homopolymer, there is only one type of monomeric unit and the number-average degree of polymerization is given by ¯ ¯ = ¯, where ¯ is the number-average molecular weight and is the molecular weight of the monomer unit.
Also acid ionization constant or acidity constant. A quantitative measure of the strength of an acid in solution expressed as an equilibrium constant for a chemical dissociation reaction in the context of acid-base reactions. It is often given as its base-10 cologarithm, p K a. acid–base extraction A chemical reaction in which chemical species are separated from other acids and bases. acid ...
The cation transport number of the leading solution is then calculated as t + = z + c L A F I Δ t {\displaystyle t_{+}={\frac {z_{+}cLAF}{I\Delta t}}} where z + {\displaystyle z_{+}} is the cation charge, c the concentration, L the distance moved by the boundary in time Δ t , A the cross-sectional area, F the Faraday constant , and I the ...
In physical chemistry and chemical engineering, extent of reaction is a quantity that measures the extent to which the reaction has proceeded. Often, it refers specifically to the value of the extent of reaction when equilibrium has been reached. It is usually denoted by the Greek letter ξ.