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  2. Aqion - Wikipedia

    en.wikipedia.org/wiki/Aqion

    In order to flatten the steep learning curve aqion provides an introduction to fundamental water-related topics in form of a "chemical pocket calculator". Second. The program mediates between two terminological concepts: The calculations are performed in the "scientific realm" of thermodynamics (activities, speciation, log K values, ionic ...

  3. Formal charge - Wikipedia

    en.wikipedia.org/wiki/Formal_charge

    Formal charges in ozone and the nitrate anion. In chemistry, a formal charge (F.C. or q*), in the covalent view of chemical bonding, is the hypothetical charge assigned to an atom in a molecule, assuming that electrons in all chemical bonds are shared equally between atoms, regardless of relative electronegativity.

  4. Pauling's principle of electroneutrality - Wikipedia

    en.wikipedia.org/wiki/Pauling's_principle_of...

    There are two possible structures for hydrogen cyanide, HCN and CNH, differing only as to the position of the hydrogen atom. The structure with hydrogen attached to nitrogen, CNH, leads to formal charges of -1 on carbon and +1 on nitrogen, which would be partially compensated for by the electronegativity of nitrogen and Pauling calculated the net charges on H, N and C as -0.79, +0.75 and +0.04 ...

  5. Kröger–Vink notation - Wikipedia

    en.wikipedia.org/wiki/Kröger–Vink_Notation

    For example, the defect may result in an ion on its own ion site or a vacancy on the cation site. To complete the reactions, the proper number of each ion must be present (mass balance), an equal number of sites must exist (site balance), and the sums of the charges of the reactants and products must also be equal (charge balance).

  6. Half-reaction - Wikipedia

    en.wikipedia.org/wiki/Half-reaction

    Note the transfer of electrons from Fe to Cl. Decomposition is also a way to simplify the balancing of a chemical equation. A chemist can atom balance and charge balance one piece of an equation at a time. For example: Fe 2+ → Fe 3+ + e − becomes 2Fe 2+ → 2Fe 3+ + 2e −; is added to Cl 2 + 2e − → 2Cl −; and finally becomes Cl 2 ...

  7. Water model - Wikipedia

    en.wikipedia.org/wiki/Water_model

    A water model is defined by its geometry, together with other parameters such as the atomic charges and Lennard-Jones parameters. In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent.

  8. Metal ions in aqueous solution - Wikipedia

    en.wikipedia.org/wiki/Metal_ions_in_aqueous_solution

    A metal ion in aqueous solution or aqua ion is a cation, dissolved in water, of chemical formula [M(H 2 O) n] z+.The solvation number, n, determined by a variety of experimental methods is 4 for Li + and Be 2+ and 6 for most elements in periods 3 and 4 of the periodic table.

  9. Charge number - Wikipedia

    en.wikipedia.org/wiki/Charge_number

    In that case, the charge of an ion could be written as =. The charge number in chemistry normally relates to an electric charge. This is a property of specific subatomic atoms. These elements define the electromagnetic contact between the two elements. A chemical charge can be found by using the periodic table.