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An effective atomic number in this context is equivalent to the atomic number but is used for compounds (e.g. water) and mixtures of different materials (such as tissue and bone). This is of most interest in terms of radiation interaction with composite materials.
The numbers 200-900 would be confused easily with 22 to 29 if they were used in chemistry. khīlioi = 1000, diskhīlioi = 2000, triskhīlioi = 3000, etc. 13 to 19 are formed by starting with the Greek word for the number of ones, followed by και (the Greek word for 'and'), followed by δέκα (the Greek word for 'ten').
Since these compounds tend to be more reactive than compounds that obey their rule, electron counting is an important tool for identifying the reactivity of molecules. While the counting formalism considers each atom separately, these individual atoms (with their hypothetical assigned charge) do not generally exist as free species .
Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and its computer program implementation, to efficiently perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
The bond valence method or mean method (or bond valence sum) (not to be mistaken for the valence bond theory in quantum chemistry) is a popular method in coordination chemistry to estimate the oxidation states of atoms. It is derived from the bond valence model, which is a simple yet robust model for validating chemical structures with ...
In chemistry the polyhedral skeletal electron pair theory (PSEPT) provides electron counting rules useful for predicting the structures of clusters such as borane and carborane clusters. The electron counting rules were originally formulated by Kenneth Wade , [ 1 ] and were further developed by others including Michael Mingos ; [ 2 ] they are ...
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 differently for molecules ...