Journal of Computer Chemistry, Japan -International Edition
Online ISSN : 2189-048X
ISSN-L : 2189-048X
General Paper
Development of MagSaki(Tri) Software for the Magnetic Analysis of Trinuclear High-spin Cobalt(II) Complexes
Hiroshi SAKIYAMA
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2015 Volume 1 Pages 9-13

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Abstract

MagSaki(Tri) software was developed for the purpose of analyzing the magnetic data of trinuclear octahedral high-spin cobalt(II) complexes. The software enables analyses for five types of trinuclear cobalt(II) structures, including equilateral triangle shapes, isosceles triangle shapes, and linear shapes, to obtain magnetic parameters: the interaction parameters, J and J’, the spin-orbit coupling parameter, λ, the orbital reduction factor, κ, and the axial splitting parameter, Δ.

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© 2015 Society of Computer Chemistry, Japan
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