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A group is a defined linked collection of atoms or a single atom within a molecular entity. (IUPAC 1997) (more) Note that a "group" is somewhat more specific or detailed than "substituent" or "ligand". "Substituents" can be composed of a collection of groups.

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Industry/Domain: Software
Category: Analysis software
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The constitution of a molecular entity is the description of the identity and connectivity (including corresponding bond multiplicities) of the atoms in a molecular entity ...

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A molecular entity is any constitutionally or isotopically distinct atom, molecule, radical, complex, conformer etc., identifiable as a separately distinguishable entity.

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A chemical species is an ensemble of chemically identical molecular entities (on the time scale of the observation).

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A substituent is an atom or group of bonded atoms that can be considered to have replaced a hydrogen atom (or two hydrogen atoms in the special case of bivalent groups) in a ...

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Ligands are atoms or groups bound to a "central atom" in a polyatomic molecular entity. The term is generally used in connection with metallic "central atoms".

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A migration is the intramolecular transfer of an atom or group during the course of a molecular rearrangement.

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