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In graph theory, the degree of a vertex is its number of connections. In a chemical graph, the maximum degree of an atom is its valence, and the maximum number of bonds a chemical element can make. For example, carbon's valence is 4. In a chemical graph, an atom is saturated if it reaches its valence.
Similar to Pourbaix diagrams for the speciation of redox species as a function of the redox potential and the pH, ionic partition diagrams indicate in which phase an acid or a base is predominantly present in a biphasic system as a function of the Galvani potential difference between the two phases and the pH of the aqueous solution.
An ion network is an interconnected network or structure composed of ions in a solution. The term "ion network" was coined by Cho and coworkers in 2014. [1] The notion of extended ion aggregates in electrolyte solutions, however, can be found in an earlier report. [2]
Sources: "the DENDRAL program contains a structure GENERATOR as its core, abundantly constrained by a set of relevant heuristics. The GENERATOR is built upon a consideration of the conventional structure representation as a topological graph, i.e., the connectivity relations of a set of chemical atoms taken as nodes.
A table or chart of nuclides is a two-dimensional graph of isotopes of the elements, in which one axis represents the number of neutrons (symbol N) and the other represents the number of protons (atomic number, symbol Z) in the atomic nucleus. Each point plotted on the graph thus represents a nuclide of a known or hypothetical chemical element.
Diagram of ion concentrations and charge across a semi-permeable cellular membrane. An electrochemical gradient is a gradient of electrochemical potential, usually for an ion that can move across a membrane.
Pourbaix diagram of iron. [1] The Y axis corresponds to voltage potential. In electrochemistry, and more generally in solution chemistry, a Pourbaix diagram, also known as a potential/pH diagram, E H –pH diagram or a pE/pH diagram, is a plot of possible thermodynamically stable phases (i.e., at chemical equilibrium) of an aqueous electrochemical system.
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 .