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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 1986 a series of annual conferences MATH/CHEM/COMP taking place in Dubrovnik was initiated by the late Ante Graovac. The basic models for mathematical chemistry are molecular graph and topological index. In 2005 the International Academy of Mathematical Chemistry (IAMC) was founded in Dubrovnik (Croatia) by Milan Randić. The Academy has 82 ...
Using point plotting, one associates an ordered pair of real numbers (x, y) with a point in the plane in a one-to-one manner. As a result, one obtains the 2-dimensional Cartesian coordinate system . To be able to plot points, one needs to first decide on a point in plane which will be called the origin , and a couple of perpendicular lines ...
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 ...
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%.