Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25– anion†
Abstract
The most stable spin configuration in the
* Corresponding authors
a
Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, C/Marcel.lí, Domingo, s/n, Tarragona, Spain
E-mail:
josepmaria.poblet@urv.cat
Fax: +34 977 55 95 63
Tel: +34 977559569
b
Institució Catalana de Recerca i Estudi Avançats (ICREA), Passeig Lluís Companys, 23, 08010 Barcelona, Spain
E-mail:
coen.degraaf@urv.cat
The most stable spin configuration in the
C. de Graaf, X. López, J. L. Ramos and J. M. Poblet, Phys. Chem. Chem. Phys., 2010, 12, 2716 DOI: 10.1039/B920442C
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