The 125te chemical shift of diphenyl ditelluride: chasing conformers over a flat energy surface

HIGHLIGHTS

  • who: Marco Bortoli and collaborators from the CNR, Istituto per la Tecnologia delle Membrane, Unità di Padova, Via Marzolo, Padova, Italy have published the paper: The 125Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface, in the Journal: Molecules 2019, 24, 1250 of /2019/
  • what: In this study detailed structural analysis of Ph2 Te2 is carried out using computational approach combining classical molecular dynamics and relativistic density functional theory methods. A benchmark study was conducted to assess the effect of the functional and of the basis set on the geometry of . . .

     

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