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A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics .
A Stiff diagram, or Stiff pattern, is a graphical representation of chemical analyses, first developed by H.A. Stiff in 1951.It is widely used by hydrogeologists and geochemists to display the major ion composition of a water sample.
The diamond is a matrix transformation of a graph of the anions (sulfate + chloride/ total anions) and cations (sodium + potassium/total cations). [4] The Piper diagram is suitable for comparing the ionic composition of a set of water samples, but does not lend itself to spatial comparisons.
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.
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 .
Origin is a proprietary computer program for interactive scientific graphing and data analysis.It is produced by OriginLab Corporation, and runs on Microsoft Windows.It has inspired several platform-independent open-source clones and alternatives like LabPlot and SciDAVis.
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]
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.