DOI: 10.1021/ct200523a. Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

10.1021/ct200523a

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

ÅezÃ¡Ä, J., Riley, K. E., & Hobza, P. (2011). Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries. Journal of Chemical Theory and Computation, 7(11), 3466â3470.

Authors 3

Jan Řezáč (first)
Kevin E. Riley (additional)
Pavel Hobza (additional)

References 23 Referenced 216

10.1039/B600027D / Phys. Chem. Chem. Phys. by Jurečka P. (2006)
10.1021/ct1002253 / J. Chem. Theory Comput. by Gráfová L. (2010)
10.1021/ct100466k / J. Chem. Theory Comput. by Goerigk L. (2011)
10.1021/ct049851d / J. Chem. Theory Comput. by Zhao Y. (2005)
10.1063/1.3545971 / J. Chem. Phys. by Burns L. A. (2011)
10.1021/ct2002946 / J. Chem. Theory Comput. by Řezáč J. (2011)
10.1002/cphc.200800718 / ChemPhysChem by Pitoňák M. (2009)
10.1039/c0cp00158a / Phys. Chem. Chem. Phys. by Pitoňák M. (2010)
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
10.1063/1.466439 / J. Chem. Phys. by Woon D. E. (1994)
10.1016/S0009-2614(98)00111-0 / Chem. Phys. Lett. by Halkier A. (1998)
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10.1021/ct200106a
10.1063/1.3378024 / J. Chem. Phys. by Takatani T. (2010)
10.1021/ct200005p / J. Chem. Theory Comput. by Řezáč J. (2011)
10.1063/1.1569242 / J. Chem. Phys. by Grimme S. (2003)
10.1080/00268970701283781 / Mol. Phys. by Distasio R. (2007)
10.1021/jp9059467 / J. Phys. Chem. A by Marchetti O. (2009)
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TURBOMOLE, v6.2;University of Karlsruhe and Forschungszentrum Karlsruhe GmbH:Karlsruhe, Germany, 2010.
Werner, H.J.; Knowles, P. J.; Manby, F. R.; Schütz, M.;MOLPRO, version 2010.1;Cardiff University:Cardiff, U.K.;Universität Stuttgart:Stuttgart, Germany, 2010.
10.1135/cccc20081261 / Collect. Czech. Chem. Commun. by Řezáč J. (2008)
Riley, K. E. Řezáč, J.; Hobza, P.Manuscript submitted.

Dates

Type	When
Created	13 years, 10 months ago (Oct. 3, 2011, 8:11 a.m.)
Deposited	2 years, 4 months ago (April 5, 2023, 8:41 a.m.)
Indexed	1 month, 4 weeks ago (June 25, 2025, 3:32 a.m.)
Issued	13 years, 10 months ago (Oct. 3, 2011)
Published	13 years, 10 months ago (Oct. 3, 2011)
Published Online	13 years, 10 months ago (Oct. 3, 2011)
Published Print	13 years, 9 months ago (Nov. 8, 2011)

Funders 0

None

BibTeX

@article{_ez__2011, title={Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries}, volume={7}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct200523a}, DOI={10.1021/ct200523a}, number={11}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Řezáč, Jan and Riley, Kevin E. and Hobza, Pavel}, year={2011}, month=oct, pages={3466–3470} }

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