Journal of Materials Chemistry was published between 1991 and 2012. From issue 1, 2013, it was replaced by three new journals: Journal of Materials Chemistry A, B and C
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Paper

QM/MM modelling of the TS-1 catalyst using HPCx

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a
Davy Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London, UK
E-mail: richard@ri.ac.uk;
Fax: +44 (0)20 7670 2958 ;
Tel: +44 (0)20 7670 2901
b
CCLRC Daresbury Laboratory, Keckwick Lane, Daresbury, Warrington, UK
E-mail: p.sherwood@dl.ac.uk;
Fax: +44 1925 603634 ;
Tel: +441925 603553
J. Mater. Chem., 2006,16, 1919-1926

DOI: 10.1039/B601089J
Received 23 Jan 2006, Accepted 22 Mar 2006
First published online 12 Apr 2006
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