"Low-momentum electrons'' and the electronic structure of small molecules
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منابع مشابه
Study of lone pair description in molecules by the modified delocalized floating spherical Gaussian orbital method.
This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for...
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