DOI: 10.1039/b502769c. The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking

The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking

10.1039/b502769c

Crossref journal-article

Royal Society of Chemistry (RSC)

Phys. Chem. Chem. Phys. (292)

Bibliography

ÄernÃ½, J., & Hobza, P. (2005). The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking. Phys. Chem. Chem. Phys., 7(8), 1624â1626.

Authors 2

Jiří Černý (first)
Pavel Hobza (additional)

References 21 Referenced 134

10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee (1998)
10.1063/1.464913 / J. Chem. Phys. by Becke (1993)
J. P. Perdew , in Electronic Structure of Solids 91, ed. P. Ziesche and H. Eschrig, Akademie, Berlin, 1991 / Electronic Structure of Solids 91 by Perdew (1991)
10.1063/1.475428 / J. Chem. Phys. by Adamo (1998)
10.1063/1.478522 / J. Chem. Phys. by Adamo (1999)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
10.1063/1.478401 / J. Chem. Phys. by Erzerhof (1999)
Recent Advances in Density Functional Methods, ed. V. Barone and A. Bencini, World Scientific, Singapore, 1999 / Recent Advances in Density Functional Methods (1999)
10.1002/jcc.540161102 / J. Comput. Chem. by Hobza (1995)
10.1021/cr9800255 / Chem. Rev. by Hobza (1999)
10.1135/cccc20032231 / Coll. Czech. Chem. Commun. by Šponer (2003)
10.1021/ja036611j / J. Am. Chem. Soc. by Jurečka (2003)
10.1021/ja044607h / J. Am. Chem. Soc. by Vondrášek (2005)
10.1063/1.475105 / J. Chem. Phys. by Zhang (1997)
10.1016/S0065-3276(08)60478-5 / Adv. Quantum Chem. by Adamo (1999)
10.1073/pnas.0308730100 / Proc. Natl. Acad. Sci. USA by Xu (2004)
10.1021/jp047502+ / J. Phys. Chem. A by Su (2004)
10.1063/1.1329889 / J. Chem. Phys. by Elstner (2001)
10.1002/jcc.20078 / J. Comput. Chem. by Grimme (2004)
10.1103/PhysRevLett.92.246401 / Phys. Rev. Lett. by Dion (2004)
10.1103/PhysRevLett.82.2123 / Phys. Rev. Lett. by Dobson (1999)

Dates

Type	When
Created	20 years, 5 months ago (March 14, 2005, 12:40 p.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 5:06 a.m.)
Indexed	1 day, 9 hours ago (Aug. 27, 2025, 12:01 p.m.)
Issued	20 years, 7 months ago (Jan. 1, 2005)
Published	20 years, 7 months ago (Jan. 1, 2005)
Published Online	20 years, 7 months ago (Jan. 1, 2005)

Funders 0

None

BibTeX

@article{_ern__2005, title={The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking}, volume={7}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/b502769c}, DOI={10.1039/b502769c}, number={8}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Černý, Jiří and Hobza, Pavel}, year={2005}, pages={1624–1626} }

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