Article ID Journal Published Year Pages File Type
9591844 Journal of Molecular Structure: THEOCHEM 2005 4 Pages PDF
Abstract
We analyze computationally the mechanistic basis of selectivity of the dimerization of indoloquinolizine derivatives. Our computational results suggest additions to the reported mechanism to help explain the observed selectivity of the dimerization. We employed semiempirical methods (AM1 Hamiltonian) to estimate reaction energies and differences in stability between the products.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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