DOI: 10.1039/c6cp00688d. The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory

The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory

10.1039/c6cp00688d

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

Abstract

The S66x8 dataset for noncovalent interactions of biochemical relevance has been re-examined by means of CCSD(F12*)(T), DFT, and SAPT methods.

Bibliography

Brauer, B., Kesharwani, M. K., Kozuch, S., & Martin, J. M. L. (2016). The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory. Physical Chemistry Chemical Physics, 18(31), 20905â20925.

Authors 4

Brina Brauer (first)
Manoj K. Kesharwani (additional)
Sebastian Kozuch (additional)
Jan M. L. Martin (additional)

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Dates

Type	When
Created	9 years, 6 months ago (March 1, 2016, 9:15 a.m.)
Deposited	1 year, 2 months ago (June 14, 2024, 2:15 p.m.)
Indexed	6 days, 9 hours ago (Aug. 26, 2025, 2:40 a.m.)
Issued	9 years, 8 months ago (Jan. 1, 2016)
Published	9 years, 8 months ago (Jan. 1, 2016)
Published Online	9 years, 8 months ago (Jan. 1, 2016)

Funders 2

Minerva Foundation 10.13039/501100001658
Region: Europe
pri (Trusts, charities, foundations (both public and private))
Labels1
1. Minerva Stiftung
Awards1
1. N/A
Israel Science Foundation 10.13039/501100003977
Region: Asia
pri (Other non-profit organizations)
Labels3
1. The Israel Science Foundation
2. הקרן הלאומית למדע
3. ISF
Awards1
1. 1358/15

BibTeX

@article{Brauer_2016, title={The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory}, volume={18}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c6cp00688d}, DOI={10.1039/c6cp00688d}, number={31}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Brauer, Brina and Kesharwani, Manoj K. and Kozuch, Sebastian and Martin, Jan M. L.}, year={2016}, pages={20905–20925} }

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