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  2. Chemical graph generator - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_generator

    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 .

  3. Piper diagram - Wikipedia

    en.wikipedia.org/wiki/Piper_diagram

    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.

  4. Stiff diagram - Wikipedia

    en.wikipedia.org/wiki/Stiff_diagram

    The points are connected to form the figure. When comparing Stiff diagrams between different waters it is important to prepare each diagram using the same ionic species, in the same order, on the same scale. Environmental laboratories typically report concentrations for anion and cation parameters using units of mass/volume, usually mg/L.

  5. Template : Did you know nominations/Chemical graph generator

    en.wikipedia.org/.../Chemical_graph_generator

    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.

  6. Molecular graph - Wikipedia

    en.wikipedia.org/wiki/Molecular_graph

    In some important cases (topological index calculation etc.) the following classical definition is sufficient: a molecular graph is a connected, undirected graph which admits a one-to-one correspondence with the structural formula of a chemical compound in which the vertices of the graph correspond to atoms of the molecule and edges of the ...

  7. Ion network - Wikipedia

    en.wikipedia.org/wiki/Ion_network

    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]

  8. Electrochemical gradient - Wikipedia

    en.wikipedia.org/wiki/Electrochemical_gradient

    Formally, the molar Gibbs free energy change associated with successful transport is [citation needed] = ⁡ + where R represents the gas constant, T represents absolute temperature, z is the charge per ion, and F represents the Faraday constant.

  9. Pourbaix diagram - Wikipedia

    en.wikipedia.org/wiki/Pourbaix_diagram

    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.