DOI: 10.1021/jp801805p. Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics

Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics

10.1021/jp801805p

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Karton, A., Tarnopolsky, A., LamÃ¨re, J.-F., Schatz, G. C., & Martin, J. M. L. (2008). Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics. The Journal of Physical Chemistry A, 112(50), 12868â12886.

Authors 5

Amir Karton (first)
Alex Tarnopolsky (additional)
Jean-François Lamère (additional)
George C. Schatz (additional)
Jan M. L. Martin (additional)

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Dates

Type	When
Created	17 years ago (Aug. 20, 2008, 5 a.m.)
Deposited	1 year, 6 months ago (Feb. 29, 2024, 6:28 a.m.)
Indexed	3 days ago (Aug. 27, 2025, 12:16 p.m.)
Issued	17 years ago (Aug. 20, 2008)
Published	17 years ago (Aug. 20, 2008)
Published Online	17 years ago (Aug. 20, 2008)
Published Print	16 years, 8 months ago (Dec. 18, 2008)

Funders 0

None

BibTeX

@article{Karton_2008, title={Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics}, volume={112}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp801805p}, DOI={10.1021/jp801805p}, number={50}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Karton, Amir and Tarnopolsky, Alex and Lamère, Jean-François and Schatz, George C. and Martin, Jan M. L.}, year={2008}, month=aug, pages={12868–12886} }

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