{"doi":"10.1002/jcc.540020412","title":"<scp>MNDO</scp> calculations for compounds containing aluminum and boron","abstract":"<jats:title>Abstract</jats:title><jats:p>Parametrization of <jats:sc>MNDO</jats:sc> for aluminum and comparisons of calculated molecular properties with experimental values indicate the general usefulness of <jats:sc>MNDO</jats:sc> to study aluminum‐containing compounds. Although results are not as good as for molecules containing only C, H, N, and O, they are nevertheless accurate enough to be useful, especially when predictive biases noted in this article are considered. Inclusion of the <jats:italic>d</jats:italic> orbital in the <jats:sc>MNDO</jats:sc> scheme may improve the aluminum results. 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Although results are not as good as for molecules containing only C, H, N, and O, they are nevertheless accurate enough to be useful, especially when predictive biases noted in this article are considered. Inclusion of the <jats:italic>d</jats:italic> orbital in the <jats:sc>MNDO</jats:sc> scheme may improve the aluminum results. 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