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Paper

A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands

Simone Piccinin*ab and   Stefano Fabrisab  
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a
CNR-IOM DEMOCRITOS Theory@Elettra Group, Istituto Officina dei Materiali, s.s. 14 km 163.5 in Area Science Park, 34149 Trieste, Italy
E-mail: piccinin@sissa.it;
Fax: +39 040-3758776 ;
Tel: +39 040-3758737
b
SISSA-Scuola Internazionale Superiore di Studi Avanzati and Italian Institute of Technology (IIT-SISSA Unit), via Bonomea 265, I-34136 Trieste, Italy
Phys. Chem. Chem. Phys., 2011,13, 7666-7674

DOI: 10.1039/C0CP01915A
Received 23 Sep 2010, Accepted 20 Jan 2011
First published online 22 Feb 2011

This article is part of themed collection: 1st TYC workshop on energy materials
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