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This lists the character tables for the more common molecular point groups used in the study of molecular symmetry. These tables are based on the group-theoretical treatment of the symmetry operations present in common molecules, and are useful in molecular spectroscopy and quantum chemistry. Information regarding the use of the tables, as well ...
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds.
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others). In 1988, it was ...
The slope of the line between any two points on a Frost diagram gives the standard reduction potential, E°, for the corresponding half-reaction. On the Frost diagram for nitrogen here below, the slope of the straight line between N 2 (at the origin of the plot) and nitrite ( HNO 2 / NO − 2 ) being slightly more pronounced than for nitrate ...
In population genetics, a triangle plot of genotype frequencies is called a de Finetti diagram. In game theory [2] and convex optimization, [3] it is often called a simplex plot. In a ternary plot, the values of the three variables a, b, and c must sum to some constant, K. Usually, this constant is represented as 1.0 or 100%.
The critical point remains a point on the surface even on a 3D phase diagram. An orthographic projection of the 3D p–v–T graph showing pressure and temperature as the vertical and horizontal axes collapses the 3D plot into the standard 2D pressure–temperature diagram. When this is done, the solid–vapor, solid–liquid, and liquid ...
Bland–Altman plot : In analytical chemistry and biostatistics this plot is a method of data plotting used in analysing the agreement between two different assays. It is identical to a Tukey mean-difference plot, which is what it is still known as in other fields, but was popularised in medical statistics by Bland and Altman. [2] [3]
Electron density plot – shows the electron density determined either crystallographically or using quantum mechanics rather than distinct atoms or bonds. Ball and stick – atomic nuclei are represented by spheres (balls) and the bonds as sticks.
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