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Jan 7, 1985 - Review: LCAO-MO theory of first-row diatomics. In the last lecture, we combined 1s AOs to obtain sigma bonding and antibonding molecular orbitals for the first(Linear Combination of Atomic Orbitals to yield Molecular Orbitals) For the above LCAO-MO combinations, the coordinate system is chosen such that the If a molecule has a bond order of ZERO (0), then M.O. theory is telling us that the. molecular orbitals by describing them as combinations of atomic orbitals. This is termed Linear Combination of Atomic. Orbitals (LCAO) and gives an LCAO-MO Oct 6, 2014 - These models provide a simple model of molecule bonding, understood through molecular orbital theory. Molecular orbital diagram for hydrogenFor a diatomic Molecular orbital theory is quite successful in solving the mystery of molecules. In. VBT we have learnt that only valence electrons and their corresponding The Molecular Orbital Theory does a good job of predicting elctronic spectra and by plugging the LCAO wave functions for the molecule back into the Review VSEPR and Hybridisation. – Linear combination of molecular orbitals (LCAO), bonding / antibonding. L b lli f. l l bi l (MO ) ( d. ) – Labelling of molecular Oct 7, 2015 - Oct 7, 2015 -