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Reaction dynamics is a field within physical chemistry, studying why chemical reactions occur, how to predict their behavior, and how to control them. It is closely related to chemical kinetics , but is concerned with individual chemical events on atomic length scales and over very brief time periods. [ 1 ]
Dynamic kinetic resolution in chemistry is a type of kinetic resolution where 100% of a racemic compound can be converted into an enantiopure compound. It is applied in asymmetric synthesis . Asymmetric synthesis has become a much explored field due to the challenge of creating a compound with a single 3D structure. [ 1 ]
MD was originally developed in the early 1950s, following earlier successes with Monte Carlo simulations—which themselves date back to the eighteenth century, in the Buffon's needle problem for example—but was popularized for statistical mechanics at Los Alamos National Laboratory by Marshall Rosenbluth and Nicholas Metropolis in what is known today as the Metropolis–Hastings algorithm.
Dynamic covalent chemistry (DCvC) is a synthetic strategy employed by chemists to make complex molecular and supramolecular assemblies from discrete molecular building blocks. [1] DCvC has allowed access to complex assemblies such as covalent organic frameworks , molecular knots , polymers , and novel macrocycles . [ 2 ]
Dynamic combinatorial chemistry (DCC); also known as constitutional dynamic chemistry (CDC) is a method to the generation of new molecules formed by reversible reaction of simple building blocks under thermodynamic control. [3] [4] The library [further explanation needed] of these reversibly interconverting building blocks is called a dynamic ...
In organic chemistry, kinetic resolution is a means of differentiating two enantiomers in a racemic mixture.In kinetic resolution, two enantiomers react with different reaction rates in a chemical reaction with a chiral catalyst or reagent, resulting in an enantioenriched sample of the less reactive enantiomer. [1]
Stock image of toilet paper rolls in a bathroom. Cases of norovirus — the virulent, wildly contagious virus that causes vomiting and diarrhea — are increasing in the U.S., ...
The Molecular Operating Environment was developed by the Chemical Computing Group under the supervision of President/CEO Paul Labute. [3] Founded in 1994 [4] and based in Montreal, Quebec, Canada, this private company is dedicated to developing computation software that will challenge, revolutionize, and aid in the scientific methodology.