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Paper

Glucose and fructose to platform chemicals: understanding the thermodynamic landscapes of acid-catalysed reactions using high-level ab initio methods

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a
Materials Science Division, Argonne National Laboratory, IL, USA
E-mail: assary@anl.gov;
Fax: +1 011-630-252-9555 ;
Tel: +1 011-630-252-7020
b
Chemical & Biological Engineering, Northwestern University, IL, USA
E-mail: curtiss@anl.gov;
Fax: +1 011-630-252-9555 ;
Tel: +1 011-630-252-7380
c
Chemical Science and Engineering Division, Argonne National Laboratory, IL, USA
d
Argonne Leadership Computing Facility, Argonne National Laboratories, IL, USA
e
Center for Nanoscale Materials, Argonne National Laboratory, IL, USA
Phys. Chem. Chem. Phys., 2012,14, 16603-16611

DOI: 10.1039/C2CP41842H
Received 01 Jun 2012, Accepted 07 Aug 2012
First published online 07 Aug 2012

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