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2. List of character tables for chemically important 3D point ...

   en.wikipedia.org/wiki/List_of_character_tables...

   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 ...

3. Frost diagram - Wikipedia

   en.wikipedia.org/wiki/Frost_diagram

   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 ...

4. List of open-source software for mathematics - Wikipedia

   en.wikipedia.org/wiki/List_of_open-source...

   An unpublished computational program written in Pascal called Abra inspired this open-source software. Abra was originally designed for physicists to compute problems present in quantum mechanics. Kespers Peeters then decided to write a similar program in C computing language rather than Pascal, which he renamed Cadabra. However, Cadabra has ...

5. Molecular graph - Wikipedia

   en.wikipedia.org/wiki/Molecular_graph

   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.

6. Point plotting - Wikipedia

   en.wikipedia.org/wiki/Point_plotting

   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 ...

7. Chemical graph theory - Wikipedia

   en.wikipedia.org/wiki/Chemical_graph_theory

   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 ...

8. Chemical graph generator - Wikipedia

   en.wikipedia.org/wiki/Chemical_graph_generator

   Graph representation of the serotonin molecule. (A) Molecular structure of serotonin. (B) Graph representation of the molecule. In a graph representing a chemical structure, the vertices and edges represent atoms and bonds, respectively. The bond order corresponds to the edge multiplicity, and as a result, chemical graphs are vertex and edge ...

9. Mathematical chemistry - Wikipedia

   en.wikipedia.org/wiki/Mathematical_chemistry

   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 ...