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  2. Electron counting - Wikipedia

    en.wikipedia.org/wiki/Electron_counting

    In chemistry, electron counting is a formalism for assigning a number of valence electrons to individual atoms in a molecule. It is used for classifying compounds and for explaining or predicting their electronic structure and bonding . [ 1 ]

  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. Lewis structure - Wikipedia

    en.wikipedia.org/wiki/Lewis_structure

    In a skeletal formula, carbon atoms are not signified by the symbol C but by the vertices of the lines. Hydrogen atoms bonded to carbon are not shown—they can be inferred by counting the number of bonds to a particular carbon atom—each carbon is assumed to have four bonds in total, so any bonds not shown are, by implication, to hydrogen atoms.

  5. Polyhedral skeletal electron pair theory - Wikipedia

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

    Electron count: 4 × P = 4 × 5 = 20 It is a 5n structure with n = 4, so it is tetrahedral. Example: P 4 S 3. Electron count 4 × P + 3 × S = 4 × 5 + 3 × 6 = 38 It is a 5n + 3 structure with n = 7. Three vertices are inserted into edges. Example: P 4 O 6. Electron count 4 × P + 6 × O = 4 × 5 + 6 × 6 = 56 It is a 5n + 6 structure with n ...

  6. Bond valence method - Wikipedia

    en.wikipedia.org/wiki/Bond_valence_method

    The bond valence model is an extension of the electron counting rules and its strength lies in its simplicity and robustness. Unlike most models of chemical bonding, it does not require a prior knowledge of the atomic positions and so can be used to construct chemically plausible structures given only the composition.

  7. Carbon - Wikipedia

    en.wikipedia.org/wiki/Carbon

    Even in cases of alleged 10-C-5 species (that is, a carbon with five ligands and a formal electron count of ten), as reported by Akiba and co-workers, [106] electronic structure calculations conclude that the electron population around carbon is still less than eight, as is true for other compounds featuring four-electron three-center bonding.

  8. Molecular Hamiltonian - Wikipedia

    en.wikipedia.org/wiki/Molecular_Hamiltonian

    The corresponding Schrödinger equation is easily solved, it factorizes into 3N − 6 equations for one-dimensional harmonic oscillators. The main effort in this approximate solution of the nuclear motion Schrödinger equation is the computation of the Hessian F of V and its diagonalization.

  9. 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 ...