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The Randić index, also known as the connectivity index, of a graph is the sum of bond contributions / / where and are the degrees of the vertices making bond i ~ j. History [ edit ]
In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. [1]
Coordinate bonds are useful in such supramolecular self-assembly because of their versatile geometries. [1] However, there is controversy over calling coordinate bonds noncovalent, as they are typically strong bonds and have covalent character. [2] The combination of a coordination cage and a guest is a type of inclusion compound. Coordination ...
Accessible surface area is often used when calculating the transfer free energy required to move a biomolecule from an aqueous solvent to a non-polar solvent, such as a lipid environment. The LCPO method is also used when calculating implicit solvent effects in the molecular dynamics software package AMBER .
In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities , such as bond length or bond angle .
Points in the polar coordinate system with pole O and polar axis L. In green, the point with radial coordinate 3 and angular coordinate 60 degrees or (3, 60°). In blue, the point (4, 210°). In mathematics, the polar coordinate system specifies a given point in a plane by using a distance and an angle as its two coordinates. These are
Physical organic chemistry is the study of the relationship between structure and reactivity of organic molecules.More specifically, physical organic chemistry applies the experimental tools of physical chemistry to the study of the structure of organic molecules and provides a theoretical framework that interprets how structure influences both mechanisms and rates of organic reactions.
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 ...