DOI: 10.1039/c3cp00057e. Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution

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

10.1039/c3cp00057e

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

Bibliography

Goerigk, L., Karton, A., Martin, J. M. L., & Radom, L. (2013). Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution. Physical Chemistry Chemical Physics, 15(19), 7028.

Authors 4

Lars Goerigk (first)
Amir Karton (additional)
Jan M. L. Martin (additional)
Leo Radom (additional)

References 35 Referenced 67

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Dates

Type	When
Created	12 years, 6 months ago (Feb. 13, 2013, 6 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 11:22 a.m.)
Indexed	3 months, 3 weeks ago (May 3, 2025, 5:44 p.m.)
Issued	12 years, 7 months ago (Jan. 1, 2013)
Published	12 years, 7 months ago (Jan. 1, 2013)
Published Print	12 years, 7 months ago (Jan. 1, 2013)

Funders 0

None

BibTeX

@article{Goerigk_2013, title={Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution}, volume={15}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c3cp00057e}, DOI={10.1039/c3cp00057e}, number={19}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Goerigk, Lars and Karton, Amir and Martin, Jan M. L. and Radom, Leo}, year={2013}, pages={7028} }

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