Journal of Computer Chemistry, Japan -International Edition
Online ISSN : 2189-048X
ISSN-L : 2189-048X
Development of MagSaki(Tetra) Software for the Magnetic Analysis of Tetranuclear High-spin Cobalt(II) Complexes
Hiroshi SAKIYAMA
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2016 Volume 2 Article ID: 2016-0001

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Abstract

MagSaki(Tetra) software was developed for the purpose of analyzing the magnetic susceptibility data of tetranuclear octahedral high-spin cobalt(II) complexes. The software enables the analyses six types of tetranuclear cobalt(II) structures, including cubane and defect dicubane structures, to obtain magnetic parameters: the interaction parameters, J, J’, J”, and J”’, the spin-orbit coupling parameter, λ, the orbital reduction factor, κ, and the axial splitting parameter, Δ.

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© 2016 Society of Computer Chemistry, Japan
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