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Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution

Lars Goerigk,*a   Amir Karton,*ab   Jan M. L. Martin*c and   Leo Radom*ab  
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School of Chemistry, University of Sydney, Sydney, Australia
E-mail: lars.goerigk@chem.usyd.edu.au, radom@chem.usyd.edu.au;
Fax: +61 2-9351-3329 ;
Tel: +61 2-9351-2733
ARC Centre of Excellence for Free Radical Chemistry and Biotechnology,
Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, Denton, USA
Phys. Chem. Chem. Phys., 2013,15, 7028-7031

DOI: 10.1039/C3CP00057E
Received 07 Jan 2013, Accepted 29 Jan 2013
First published online 13 Feb 2013
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