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- W1599421960 abstract "In principle, some sort of molecular orbital calculation on molecules of almost any complexity is performed. Analogously, to appreciate the orbital structure of complex systems it is much more insightful to start off with the levels of a simpler one and “switch on” a perturbation. This chapter illustrates three examples of different types of perturbations namely electronegativity perturbation, geometry perturbation, and intermolecular perturbation which we are frequently used. The interest lies in seeing how the levels of the species are altered electronically during a perturbation involving molecular assembly, geometrical change, or atomic substitution. The theoretical technique that will be used is perturbation theory. An intermolecular perturbation leads to modification of the orbitals of one molecule by those of another. The chapter also provides hypothetical example of intermolecular perturbation. The chapter also discusses simple examples which illustrate the essence of the three-orbital problem." @default.
- W1599421960 created "2016-06-24" @default.
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- W1599421960 date "2013-03-27" @default.
- W1599421960 modified "2023-10-17" @default.
- W1599421960 title "Perturbational Molecular Orbital Theory" @default.
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- W1599421960 doi "https://doi.org/10.1002/9781118558409.ch3" @default.
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