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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
HSC Sim is a process simulator based on the HSC Chemistry software and databases. It has been implemented as a module to HSC Chemistry 7.0 in 2007 and can be used primarily for static process simulation. HSC stands for H ([enthalpy]), S ([entropy]) and Cp([heat capacity]).
Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool ACS Green Chemistry ...
Clar's rule is widely applied in the fields of chemistry and materials science. For instance, Clar's rule can be used to predict several properties of graphene nanoribbons . [ 10 ] Aromatic π-sextets play an important part in the determination of the ground state of open shell biradical -type structures., [ 4 ] Clar's rule can rationalize the ...
In organic chemistry, neighbouring group participation (NGP, also known as anchimeric assistance) has been defined by the International Union of Pure and Applied Chemistry (IUPAC) as the interaction of a reaction centre with a lone pair of electrons in an atom or the electrons present in a sigma or pi bond contained within the parent molecule but not conjugated with the reaction centre.
In organic chemistry, vinylation is the process of attaching a vinyl group (CH 2 =CH−) to a substrate. Many organic compounds contain vinyl groups, so the process has attracted significant interest, especially since the reaction scope includes substituted vinyl groups. The reactions can be classified according to the source of the vinyl group.
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