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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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a
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
b
ARC Centre of Excellence for Free Radical Chemistry and Biotechnology,
c
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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