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Coordination geometry. The coordination geometry of an atom is the geometrical pattern defined by the atoms around the central atom. The term is commonly applied in the field of inorganic chemistry, where diverse structures are observed. The coordination geometry depends on the number, not the type, of ligands bonded to the metal centre as well ...
Second rule: the electrostatic valence rule. For a given cation, Pauling defined [2] the electrostatic bond strength to each coordinated anion as , where z is the cation charge and ν is the cation coordination number. A stable ionic structure is arranged to preserve local electroneutrality, so that the sum of the strengths of the electrostatic ...
In bioinformatics, the root mean square deviation of atomic positions, or simply root mean square deviation (RMSD), is the measure of the average distance between the atoms (usually the backbone atoms) of superimposed molecules. [1] In the study of globular protein conformations, one customarily measures the similarity in three-dimensional ...
Coordination number. In chemistry, crystallography, and materials science, the coordination number, also called ligancy, of a central atom in a molecule or crystal is the number of atoms, molecules or ions bonded to it. The ion/molecule/atom surrounding the central ion/molecule/atom is called a ligand. This number is determined somewhat ...
Energy profile (chemistry) In theoretical chemistry, an energy profile is a theoretical representation of a chemical reaction or process as a single energetic pathway as the reactants are transformed into products. This pathway runs along the reaction coordinate, which is a parametric curve that follows the pathway of the reaction and indicates ...
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 ...
Tetrahedral molecular geometry. In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron. The bond angles are cos −1 (− 1⁄3) = 109.4712206...° ≈ 107.5° when all four substituents are the same, as in methane (CH4) [1][2] as well as its heavier ...
In chemistry, a reaction coordinate[1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities, such as bond length or bond angle. For example, in the homolytic dissociation of ...