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The Butadiene Determinant

The wave function iji = CxXi + C2X2 t C3X3 t C4X4 for butadiene has been shown to give the determinant [Pg.61]

If we were to take advantage c the symmetry of butadiene and write [Pg.62]

This approach gives two much simpler determinants than the [Pg.63]


The LCAO calculations with heteroatoms proceed by the usual method. For acrolein, CH2=CH-CH=0, we would have the butadiene determinant with appropriate values for oiq and... [Pg.79]


See other pages where The Butadiene Determinant is mentioned: [Pg.61]   


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