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.


 \begin{displaymath}
H_{1-4} = \left (
\beta^h sin \theta_{1-2} sin \theta_{3-4} +
\beta cos \theta_{1-2} cos \theta_{3-4}
\right )
\end{displaymath} (9)

where we are defining a ``horizontal'' $\beta^h$ in analogy with the ``parallel'' one normally used in these kinds of calculations. Since there is no $\sigma_{1-4}$ bond (from pre-hybridized spn orbitals), the normal Hückel rules tell us that the second term in Equation 9 vanishes. Thus

 \begin{displaymath}
H_{1-4} = \beta^h sin \theta_{1-2} sin \theta_{3-4}
\end{displaymath} (10)



Carl David
1999-06-16