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  2. Bond valence method - Wikipedia

    en.wikipedia.org/wiki/Bond_valence_method

    The bond valence method or mean method (or bond valence sum) (not to be mistaken for the valence bond theory in quantum chemistry) is a popular method in coordination chemistry to estimate the oxidation states of atoms. It is derived from the bond valence model, which is a simple yet robust model for validating chemical structures with ...

  3. Van Arkel–Ketelaar triangle - Wikipedia

    en.wikipedia.org/wiki/Van_Arkel–Ketelaar_triangle

    Rather, bond types are interconnected and different compounds have varying degrees of different bonding character (for example, covalent bonds with significant ionic character are called polar covalent bonds). Six years later, in 1947, Ketelaar developed van Arkel's idea by adding more compounds and placing bonds on different sides of the triangle.

  4. Configuration interaction - Wikipedia

    en.wikipedia.org/wiki/Configuration_interaction

    Valence bond theory; Coulson–Fischer theory Generalized valence bond Modern valence bond theory: Molecular orbital theory; Hartree–Fock method Semi-empirical quantum chemistry methods Møller–Plesset perturbation theory Configuration interaction Coupled cluster Multi-configurational self-consistent field Quantum chemistry composite methods

  5. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    A valence bond structure resembles a Lewis structure, but when a molecule cannot be fully represented by a single Lewis structure, multiple valence bond structures are used. Each of these VB structures represents a specific Lewis structure. This combination of valence bond structures is the main point of resonance theory.

  6. Polyhedral skeletal electron pair theory - Wikipedia

    en.wikipedia.org/wiki/Polyhedral_skeletal...

    When counting electrons for each cluster, the number of valence electrons is enumerated. For each transition metal present, 10 electrons are subtracted from the total electron count. For example, in Rh 6 (CO) 16 the total number of electrons would be 6 × 9 + 16 × 2 − 6 × 10 = 86 – 60 = 26.

  7. Valency interaction formula - Wikipedia

    en.wikipedia.org/wiki/Valency_interaction_formula

    These are linear transformations applied to the VIF structural formula as a quantum operator. Transformation by the two rules preserves invariants crucial to the characterization of the molecular electronic properties, the numbers of bonding, non-bonding, and anti-bonding orbitals and/or the numbers of doubly, singly, and unoccupied valence ...