de, Azevedo Santos L.; van, der Lubbe S.C.C.; Hamlin, T.A.; de Castro Ramalho, Teodorico; Matthias, Bickelhaupt F.
(Wiley-VCH Verlag, 2021)
We have quantum chemically analyzed the structure and stability of archetypal chalcogen-bonded model complexes D2Ch⋅⋅⋅A− (Ch = O, S, Se, Te; D, A = F, Cl, Br) using relativistic density functional theory at ZORA-M06/QZ4P. ...