7 resultados para ATOMIC ORBITALS

em University of Connecticut - USA


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In the spirit of trying to convert people to understanding atomic orbitals centered elsewhere than the origin, we continue the discussion of visualizing molecular orbitals, so called LCAO-MO, using various plotting tricks in Maple.

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If elementary Quantum Chemistry stops at diatomic molecules, some students may be left with false impressions concerning how one builds polyatomic molecule's LCAO-MOs. This reading discusses building such molecular orbitals from atomic orbitals centered at different spatial coordinates.

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An earlier discussion of sp hybrid orbitals is extended to include orbitals made up to an s orbital and two p orbitals.

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Hybrid (sp) orbitals are illustrated in various plotting schemes to aid in understaning their structure.

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Some consequences of using Atomic Units are treated here.

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Various plots of sigma molecular orbitals in diatomic molecules are discussed.

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The pi and pi-star orbitals of the hydrogen molecular cation are obtained using Maple in the same manner as the sigma and sigma-star orbitals were obtained in paper-36.