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Walsh Diagram of an HAH molecule. Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital binding energies of a molecule versus a distortion coordinate (bond angles), used for making quick predictions about the geometries of small molecules.
In chemistry, the Z-matrix is a way to represent a system built of atoms.A Z-matrix is also known as an internal coordinate representation.It provides a description of each atom in a molecule in terms of its atomic number, bond length, bond angle, and dihedral angle, the so-called internal coordinates, [1] [2] although it is not always the case that a Z-matrix will give information regarding ...
The polar surface area (PSA) or topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms or molecules, primarily oxygen and nitrogen, also including their attached hydrogen atoms. PSA is a commonly used medicinal chemistry metric for the
Coordinate bonds are useful in such supramolecular self-assembly because of their versatile geometries. [1] However, there is controversy over calling coordinate bonds noncovalent, as they are typically strong bonds and have covalent character. [2] The combination of a coordination cage and a guest is a type of inclusion compound. Coordination ...
The Randić index, also known as the connectivity index, of a graph is the sum of bond contributions / / where and are the degrees of the vertices making bond i ~ j. History [ edit ]
In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. [1]
In coordination chemistry, a coordinate covalent bond, [1] also known as a dative bond, [2] dipolar bond, [1] or coordinate bond [3] is a kind of two-center, two-electron covalent bond in which the two electrons derive from the same atom. The bonding of metal ions to ligands involves this kind of interaction. [4]
In organic chemistry, a type of chemical reaction in which two or more molecules combine to make a larger one. adduct A distinct chemical species that is the sole product of an addition reaction between two other distinct reactant species, in which all of the atoms comprising the reactants are retained in the single product. Changes in ...