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questions :huckel molecular orbital theory
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[Visitor (58.214.*.*)]answers [Chinese ]Time :2020-09-27
A chemical bond theory is a natural extension of the atomic orbital theory to molecules. The basic point of view is that there is a single electron's own behavior in physics, which is only affected by the atomic nucleus and the average field of other electrons in the molecule, and the Pauli principle of incompatibility Restrictions; mathematically, it is an attempt to simplify the difficult multi-electron motion equations into single-electron equations. Therefore, molecular orbital theory is a chemical bond theory based on single-electron approximation. The wave function describing the behavior of single electrons is called orbital ( Or orbital function), the corresponding single-electron energy is called the energy level. For any molecule, if its series of molecular orbitals and energy levels are obtained, the molecular structure can be discussed like the atomic structure, and related to the systematic interpretation of molecular properties.Sometimes, even based on some approximate molecular orbitals and energy levels obtained with a rough calculation scheme, very useful qualitative results can be analyzed...


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