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Density functional theory study of the Jahn-Teller effect in cobaltocene
(Int Union Pure Applied Chemistry, Res Triangle Pk, 2009)
A detailed discussion of the potential energy surface of bis(cyclopentadienyl)cobalt(II), cobaltocene, is given. Vibronic coupling coefficients are calculated using density functional theory (DFT). Results are in good ...
Synthesis, NMR, DFT and antimicrobial studies of Zn(II) complexes with N-benzyloxycarbonyl-S-alanine / Sinteza, NMR i DFT proračunavanja i ispitivanje antimikrobne aktivnosti Zn(II) kompleksa sa N-benziloksikarbonil-S-alaninom
(Serbian Chemical Society, 2008)
In this study, the first complexes of Zn(II) with the N-benzyloxycar- bonyl-S-alaninato ligand (N-Boc-S-ala) were synthesized. The new complexes were characterized by elemental analysis, conductometric measurements, IR, ...