Counter-Intuitive Orbital Mixing in Semi-Empirical and Ab Initio Molecular Orbital Calculations
J. H. Ammeter, H.-B. Bürgi, J. C. Thibeault and R. Hoffmann, J. Amer. Chem. Soc., 100, 3686-3692 (1978).
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J. H. Ammeter, H.-B. Bürgi, J. C. Thibeault and R. Hoffmann, J. Amer. Chem. Soc., 100, 3686-3692 (1978).