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Structure · dataset · 2023

Research data for "Determinative Effect of Axial Linearity on Single-Molecule Magnet Performance in Dinuclear Dysprosium Complexes"

Listed in University of Manchester figshare

<p>This is the computational data for our paper describing the electronic structure and magnetic properties of two Dy(III) dimers.

Description

In one compound the magnetic anisotropy-directing phenoxy atoms are approximately linear, while in the other compound they are approximately orthogonal. This leads to vastly different magnetic properties, as exposed by the calculations included in this dataset.

These have been performed on the crystal structures from XRD, using CASSCF-SO methods.</p>

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Where it is published

Catalogue records · 1

Topics

From keywords
Chemistry · Earth & Environmental Science · F-block chemistry
Provenance · 1 source records, 8 field assertions
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University of Manchester figshareoai:figshare.com:article/2194704215 h agoJSON v1
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