Articles with "potentials molecular" as a keyword



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Theoretical and experimental study of torsional potentials, molecular structure (monomer and dimer), vibrational analysis and molecular characteristics of some dimethyl bipyridines

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Published in 2020 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2019.127089

Abstract: Abstract This study deals with the determination of torsional potentials, molecular geometry in monomer and dimer form and vibrational assignments of 4,4′-dimethyl-2,2′-bipyridine (4DB); 5,5′-dimethyl-2,2′-bipyridine (5DB); and 6,6′-dimethyl-2,2′-bipyridine (6DB) using quantum chemical calculations carried out by… read more here.

Keywords: vibrational analysis; analysis; monomer dimer; torsional potentials ... See more keywords