2 resultados para Porphyrins, Molecular Orbitals, Density Functional, Mixed-Valence, Spectroscopy

em University of Connecticut - USA


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

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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.