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Chemistry. Mathematical chemistry[1] is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. [2] Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry.
Glossary of mathematical symbols. A mathematical symbol is a figure or a combination of figures that is used to represent a mathematical object, an action on mathematical objects, a relation between mathematical objects, or for structuring the other symbols that occur in a formula. As formulas are entirely constituted with symbols of various ...
In mathematical logic, a formula (often referred to as a well-formed formula) is an entity constructed using the symbols and formation rules of a given logical language. [ 8 ] For example, in first-order logic, is a formula, provided that is a unary function symbol, a unary predicate symbol, and a ternary predicate symbol.
A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas.The reactant entities are given on the left-hand side and the product entities are on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. [1]
Computational chemistry. A dichromium metal complex with electrostatic field surrounding it. Modelled using WebMO. [1] Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [2] It uses methods of theoretical chemistry incorporated into computer programs to calculate the ...
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 mean-field approximation is implied. Effects arising from deviations from this assumption are neglected. These effects are often collectively used as a definition of the term electron correlation. However, the label "electron correlation" strictly spoken encompasses both the Coulomb correlation and Fermi correlation, and the latter is an ...
This glossary of chemistry terms is a list of terms and definitions relevant to chemistry, including chemical laws, diagrams and formulae, laboratory tools, glassware, and equipment. Chemistry is a physical science concerned with the composition, structure, and properties of matter , as well as the changes it undergoes during chemical reactions ...