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

Lars Goerigk, Amir Karton, Jan M. L. Martin, Leo Radom
  • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c3cp00057e
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The following have contributed to this page: Dr Lars Goerigk