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Dimensional analysis may be used as a sanity check of physical equations: the two sides of any equation must be commensurable or have the same dimensions. A person who has calculated the power output of a car to be 700 kJ may have omitted a factor, since the unit joules is a measure of energy, not power (energy per unit time).
The XYZ file format is a simple format that usually gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols (or atomic numbers) and cartesian coordinates. The Protein Data Bank Format is commonly used for proteins but is also used for other types of molecules. There are many other ...
An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
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 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 ...
In chemistry, chemical purity is the measurement of the amount of impurities found in a sample. Several grades of purity are used by the scientific, pharmaceutical, and industrial communities. Several grades of purity are used by the scientific, pharmaceutical, and industrial communities.
Detergents. A detergent is a surfactant or a mixture of surfactants with cleansing properties when in dilute solutions. [1] There are a large variety of detergents. A common family is the alkylbenzene sulfonates, which are soap-like compounds that are more soluble than soap in hard water, because the polar sulfonate is less likely than the polar carboxylate of soap to bind to calcium and other ...