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NBO and QTAIM investigations of the conformers of 1, 4-dioxane-2, 3-bis(pyridin-1-ium) and 1, 4-dioxane-2, 5-bis(pyridin-1-ium) molecules
NBO and QTAIM investigations of the conformers of 1, 4-dioxane-2, 3-bis(pyridin-1-ium) and 1, 4-dioxane-2, 5-bis(pyridin-1-ium) molecules

Elahe Faramarzi; Reza Ghiasi; Masumeh Abdoli- Senejani

Volume 2, Issue 2 , February 2020, , Pages 187-195

https://doi.org/10.33945/SAMI/ECC.2020.2.4

Abstract
  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) ...  Read More