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This research aimed at exploring the stabilities of conformers of 1, 4-dioxane-2, 3-bis (pyridin-1-ium) and 1, 4-dioxane-2, 5-bis(pyridin-1-ium) molecules at the B3LYP/6-311+G (d,p) theory level. To this goal, estimations of the total energies and dipole moments of the axial and equatorial conformations were first done for the mentioned molecules. C-N and C-O bond distances were calculated and these variations were explained with the negative hyperconjugative anomeric effects. The negativedoi:10.33945/sami/ecc.2020.2.4 fatcat:e57gmgizozclhaeufyr77wymsq