V. N. Nemykin, A. E. Polshina, E. V. Polshin, N. Kobayashi, “First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes”, Mendeleev Commun., 10:2 (2000), 54

Эта публикация цитируется в 2 статьях

First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes

V. N. Nemykin^a, A. E. Polshina^b, E. V. Polshin^c, N. Kobayashi^d

^a V.I. Vernadsky Institute of General and Inorganic Chemistry, National Academy of Sciences of Ukraine, Kiev, Ukraine
^b Institute of Sorption and Endoecological Problems, National Academy of Siences of Ukraine, Kiev, Ukraine
^c Institute of Geochemistry, Mineralogy and Ore Formation, Kiev, Ukraine
^d Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Japan

Аннотация: A semi-empirical quantum mechanics method and a cone angle conception were used to factorise partial quadrupole splitting parameters for different ligands in axially coordinated macrocyclic complexes.

Язык публикации: английский

DOI: 10.1070/MC2000v010n02ABEH001207