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A-values can help predict the steric effect of a substituent. In general, the larger a substituent's A-value, the larger the steric effect of that substituent. A methyl group has an A-value of 1.74 while tert-butyl group has an A-value of ~5. Because the A-value of tert-butyl is higher, tert-butyl has a larger steric effect than methyl. This ...
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 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 ]
Charge carrier density, also known as carrier concentration, denotes the number of charge carriers per volume. In SI units, it is measured in m −3. As with any density, in principle it can depend on position. However, usually carrier concentration is given as a single number, and represents the average carrier density over the whole material.
The CHARMM molecular dynamics package [4] can read and write a number of standard chemical and biochemical file formats; however, the CARD (coordinate) and PSF (protein structure file) are largely unique to CHARMM. The CARD format is fixed-column-width, resembles the PDB format, and is used exclusively for storing atomic coordinates.
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.
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 ...