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  2. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    Simple pictures showing orbital shapes are intended to describe the angular forms of regions in space where the electrons occupying the orbital are likely to be found. The diagrams cannot show the entire region where an electron can be found, since according to quantum mechanics there is a non-zero probability of finding the electron (almost ...

  3. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    The orbital wave functions are positive in the red regions and negative in the blue. The right column shows virtual MO's which are empty in the ground state, but may be occupied in excited states. In chemistry, a molecular orbital (/ ɒr b ə d l /) is a mathematical function describing the location and wave-like behavior of an electron in a ...

  4. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. The MOT explains the paramagnetic nature of O 2, which valence bond theory cannot explain.

  5. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    Electron atomic and molecular orbitals A Bohr diagram of lithium. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1]

  6. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The possible orbital symmetries are listed in the table below. For example, an orbital of B 1 symmetry (called a b 1 orbital with a small b since it is a one-electron function) is multiplied by -1 under the symmetry operations C 2 (rotation about the 2-fold rotation axis) and σ v '(yz) (reflection in the molecular

  7. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    Historically, much of classical organic chemistry was built on the older valence bond / orbital hybridization models of bonding. To account for phenomena like aromaticity, this simple model of bonding is supplemented by semi-quantitative results from Hückel molecular orbital theory.

  8. Orbital hybridisation - Wikipedia

    en.wikipedia.org/wiki/Orbital_hybridisation

    It gives a simple orbital picture equivalent to Lewis structures. Hybridisation theory is an integral part of organic chemistry , one of the most compelling examples being Baldwin's rules . For drawing reaction mechanisms sometimes a classical bonding picture is needed with two atoms sharing two electrons. [ 5 ]

  9. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    However, the later edition in 1959 failed to adequately address the problems that appeared to be better understood by molecular orbital theory. The impact of valence theory declined during the 1960s and 1970s as molecular orbital theory grew in usefulness as it was implemented in large digital computer programs. Since the 1980s, the more ...