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Browsing Research Articles (Chemistry) by Subject "Zinc"

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Physical nature of interactions in ZnII complexes with 2,2′-bipyridyl : quantum theory of atoms in molecules (QTAIM), interacting quantum atoms (IQA), noncovalent interactions (NCI), and extended transition state coupled with natural orbitals for chemical valence (ETS-NOCV) comparative studies

Cukrowski, Ignacy; De Lange, Jurgens Hendrik; Mitoraj, Mariusz Pawel (American Chemical Society, 2014-01)

In the present account factors determining the stability of ZnL, ZnL2, ZnL3 complexes (L = bpy, 2,2-bipyridyl) were characterized based on various techniques: the Quantum Theory of Atoms in Molecules (QTAIM), energy ...

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