Abstract
In this work, after validation by comparison with results obtained by DFT, the semi-empirical methods RM1 and PM6 were employed to perform conformational analysis of three oximes employed in chemical defense. The results suggested low energy conformations for those compounds that could be useful in further parameterizations for molecular modeling studies. © 2010 Sociedade Brasileira de Química.
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Da Silva Gonçalves, A., França, T. C. C., Figueroa-Villar, J. D., & Pascutti, P. G. (2010). Conformational analysis of toxogonine, TMB-4 and HI-6 using PM6 and RM1 methods. Journal of the Brazilian Chemical Society, 21(1), 179–184. https://doi.org/10.1590/s0103-50532010000100025
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