Articles with "influence stereoelectronic" as a keyword



Influence of stereoelectronic effects on the non-opioid analgesics gaboxadol and gaboxadol hydrochloride: Spectral and DFT study

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Published in 2018 at "Journal of Physics and Chemistry of Solids"

DOI: 10.1016/j.jpcs.2018.01.030

Abstract: Abstract The stereoelectronic properties of the molecular structure of most stable conformers of gaboxadol and gaboxadol hydrochloride have been studied using DFT/B3P86-LANL2DZ methodology. The energies of stable conformers of gaboxadol and gaboxadol hydrochloride are −494.2689… read more here.

Keywords: gaboxadol gaboxadol; dft; gaboxadol hydrochloride; stereoelectronic effects ... See more keywords