Add time:09/03/2019 Source:sciencedirect.com
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.
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