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A graph with six vertices and seven edges. In discrete mathematics, particularly in graph theory, a graph is a structure consisting of a set of objects where some pairs of the objects are in some sense "related". The objects are represented by abstractions called vertices (also called nodes or points) and each of the related pairs of vertices ...
Methyl groups are implied, but not visualized. 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 ...
Molecular geometry. Appearance. Geometry of the water molecule with values for O-H bond length and for H-O-H bond angle between two bonds. Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any ...
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 bond angle for water is 104.5°. Valence shell electron pair repulsion (VSEPR) theory (/ ˈvɛspər, vəˈsɛpər / VESP-ər, [ 1 ]: 410və-SEP-ər[ 2 ]) is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. [ 3 ] It is also named the Gillespie-Nyholm ...
In mathematics, graph theory is the study of graphs, which are mathematical structures used to model pairwise relations between objects. A graph in this context is made up of vertices (also called nodes or points) which are connected by edges (also called arcs, links or lines).
A phase diagram in physical chemistry, engineering, mineralogy, and materials science is a type of chart used to show conditions (pressure, temperature, etc.) at which thermodynamically distinct phases (such as solid, liquid or gaseous states) occur and coexist at equilibrium.
In chemistry, valence bond (VB) theory is one of the two basic theories, along with molecular orbital (MO) theory, that were developed to use the methods of quantum mechanics to explain chemical bonding. It focuses on how the atomic orbitals of the dissociated atoms combine to give individual chemical bonds when a molecule is formed.