- Settore: Software
- Number of terms: 862
- Number of blossaries: 0
- Company Profile:
CambridgeSoft, based in Cambridge, Massachusetts, USA, is a cheminformatics software and consulting company. The company was founded in 1986 by Stewart Rubenstein, then a graduate student in chemistry at Harvard University, and has since remained independent. The company's historical main product ...
Pokroju jest odrębne układ przestrzenny atomów, które może konwertować do innego pokroju poprzez obrót wokół osi obligacji.
Industry:Software
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 (omitting any distinction from their spatial arrangement).
Industry:Software
A molecular entity is any constitutionally or isotopically distinct atom, molecule, radical, complex, conformer etc., identifiable as a separately distinguishable entity.
Industry:Software
A chemical species is an ensemble of chemically identical molecular entities (on the time scale of the observation).
Industry:Software
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 parent molecular entity (real or hypothetical).
Industry:Software
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".
Industry:Software
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.
Industry:Software
A conformation is a distinct spatial arrangement of atoms that may convert to another conformation through rotation about a bond axis.
Industry:Software
Stereoisomers differ only in the spatial arrangements of their atoms. They are constitutionally identical. (same atoms and bond connectivity).
Industry:Software
A unimolecular reaction is a reaction where there is a single reactant molecular entity that is involved in the microscopic chemical event constituting an elementary reaction.
Industry:Software
