DOI: 10.1021/ct800511q. “Mindless” DFT Benchmarking

10.1021/ct800511q

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Korth, M., & Grimme, S. (2009). âMindlessâ DFT Benchmarking. Journal of Chemical Theory and Computation, 5(4), 993â1003.

Authors 2

Martin Korth (first)
Stefan Grimme (additional)

References 55 Referenced 233

{'key': 'ref1/cit1', 'volume-title': 'Quantum Mechanical Prediction of Thermochemical Data', 'author': 'Cioslowski J.', 'year': '2001'} / Quantum Mechanical Prediction of Thermochemical Data by Cioslowski J. (2001)
10.1063/1.477422 / J. Chem. Phys. by Curtiss L. A. (1998)
10.1021/jp035287b / J. Phys. Chem. A by Lynch B. J. (2003)
10.1021/jp045141s / J. Phys. Chem. A by Zhao Y. (2005)
10.1021/jo062446p / J. Org. Chem. by Grimme S. (2007)
10.1039/B600027D / Phys. Chem. Chem. Phys. by Jurecka P. (2006)
10.1063/1.3021474 / J. Chem. Phys. by Johnson E. R. (2008)
10.1021/ar700208h / Acc. Chem. Res. by Schwabe T. (2008)
10.1021/ar700111a / Acc. Chem. Res. by Zhao Y. (2008)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1002/qua.20305 / Int. J. Quantum Chem. by Csonka G. I. (2005)
10.1021/jp050036j / J. Phys. Chem. A by Grimme S. (2005)
10.1021/ci600423u / J. Chem. Inf. Model. by Fink T. (2007)
10.1021/jp057107z / J. Phys. Chem. A by Bera P. B. (2006)
Clayden, J.; Greeves, N.; Warren, S.; Wothers, P.Organic Chemistry;Oxford University Press:Oxford, 2001; p12.
10.1063/1.467146 / J. Chem. Phys. by Schäfer A. (1994)
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
10.1002/jcc.10407 / J. Comput. Chem. by Saunders M. (2004)
{'key': 'ref19/cit19', 'first-page': '199', 'volume': '23', 'author': 'Lee T. J.', 'year': '1989', 'journal-title': 'Int. J. Quantum Chem.'} / Int. J. Quantum Chem. by Lee T. J. (1989)
10.1016/S0009-2614(03)00435-4 / Chem. Phys. Lett. by Lee T. J. (2003)
10.1063/1.2348881 / J. Chem. Phys. by Karton A. (2006)
10.1016/S0009-2614(98)00111-0 / Chem. Phys. Lett. by Halkier A. (1998)
10.1016/S0009-2614(99)00179-7 / Chem. Phys. Lett. by Halkier A. (1999)
10.1103/PhysRev.81.385 / Phys. Rev. by Slater J. C. (1951)
10.1139/p80-159 / Can. J. Phys. by Vosko S. H. (1980)
10.1002/jcc.20495 / J. Comput. Chem. by Grimme S. (2006)
10.1103/PhysRevB.33.8822 / Phys. Rev. B by Perdew J. P. (2000)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
10.1103/PhysRevLett.91.146401 / Phys. Rev. Lett. by Tao J. (2003)
10.1063/1.478522 / J. Chem. Phys. by Adamo C. (1999)
10.1063/1.464304 / J. Chem. Phys. by Becke A. D. (1993)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
10.1021/j100096a001 / J. Phys. Chem. by Stephens P. J. (1994)
10.1063/1.2148954 / J. Chem. Phys. by Grimme S. (2006)
10.1021/jp801805p / J. Phys. Chem. A by Karton A. (2008)
10.1063/1.1774975 / J. Chem. Phys. by Boese A. D. (2004)
10.1021/jp048147q / J. Phys. Chem. A by Zhao Y. (2004)
10.1021/jp050536c / J. Phys. Chem. A by Zhao Y. (2005)
10.1063/1.2126975 / J. Chem. Phys. by Zhao Y. (2005)
10.1021/ct0502763 / J. Chem. Theory Comput. by Zhao Y. (2006)
10.1007/s00214-007-0310-x / Theor. Chem. Acc. by Zhao Y. (2008)
10.1063/1.2370993 / J. Chem. Phys. by Zhao Y. (2006)
10.1063/1.1627293 / J. Chem. Phys. by Weigend F. (2003)
10.1016/0009-2614(95)00838-U / Chem. Phys. Lett. by Eichkorn K. (1995)
10.1007/s002140050244 / Theor. Chem. Acc. by Eichkorn K. (1997)
Werner, H. J.; et al. MOLPROversion 2006.1, a package of ab initio programs;University College Cardiff Consultants, Ltd.:Cardiff, 2006.See alsohttp://www.molpro.net(accessed Feb 3, 2009).
{'key': 'ref48/cit48', 'volume-title': 'Gaussian 03, Revision E.01', 'author': 'Frisch M. J.', 'year': '2004'} / Gaussian 03, Revision E.01 by Frisch M. J. (2004)
{'key': 'ref49/cit49', 'volume-title': 'NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.1', 'author': 'Bylaska E. J.', 'year': '2007'} / NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.1 by Bylaska E. J. (2007)
{'key': 'ref50/cit50', 'volume-title': 'TURBOMOLE V5.10', 'author': 'Ahlrichs R.', 'year': '2008'} / TURBOMOLE V5.10 by Ahlrichs R. (2008)
10.1016/0009-2614(89)85118-8 / Chem. Phys. Lett. by Ahlrichs R. (1989)
10.1039/b704725h / Phys. Chem. Chem. Phys. by Schwabe T. (2007)
10.1063/1.1904565 / J. Chem. Phys. by Perdew J. P. (2005)
10.1021/ct800246v / J. Chem. Theory Comput. by Zhao Y. (2008)
10.1002/anie.200600448 / Angew. Chem., Int. Ed. by Grimme S. (2006)

Dates

Type	When
Created	16 years, 5 months ago (March 4, 2009, 2:45 p.m.)
Deposited	2 years, 4 months ago (April 3, 2023, 5:48 a.m.)
Indexed	2 weeks, 4 days ago (Aug. 6, 2025, 8:24 a.m.)
Issued	16 years, 5 months ago (March 4, 2009)
Published	16 years, 5 months ago (March 4, 2009)
Published Online	16 years, 5 months ago (March 4, 2009)
Published Print	16 years, 4 months ago (April 14, 2009)

Funders 0

None

BibTeX

@article{Korth_2009, title={“Mindless” DFT Benchmarking}, volume={5}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct800511q}, DOI={10.1021/ct800511q}, number={4}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Korth, Martin and Grimme, Stefan}, year={2009}, month=mar, pages={993–1003} }

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      "key": "ref2/cit2",
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    {
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      "DOI": "10.1021/jo062446p",
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    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
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      "DOI": "10.1039/B600027D",
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      "author": "Jurecka P.",
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      "key": "ref7/cit7",
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      "first-page": "204112",
      "DOI": "10.1063/1.3021474",
      "volume": "129",
      "author": "Johnson E. R.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "569",
      "DOI": "10.1021/ar700208h",
      "volume": "41",
      "author": "Schwabe T.",
      "year": "2008",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "157",
      "DOI": "10.1021/ar700111a",
      "volume": "41",
      "author": "Zhao Y.",
      "year": "2008",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "3865",
      "DOI": "10.1103/PhysRevLett.77.3865",
      "volume": "77",
      "author": "Perdew J. P.",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "506",
      "DOI": "10.1002/qua.20305",
      "volume": "101",
      "author": "Csonka G. I.",
      "year": "2005",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "3067",
      "DOI": "10.1021/jp050036j",
      "volume": "109",
      "author": "Grimme S.",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "342",
      "DOI": "10.1021/ci600423u",
      "volume": "47",
      "author": "Fink T.",
      "year": "2007",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "4287",
      "DOI": "10.1021/jp057107z",
      "volume": "110",
      "author": "Bera P. B.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref15/cit15",
      "unstructured": "Clayden, J.; Greeves, N.; Warren, S.; Wothers, P.Organic Chemistry;Oxford University Press:Oxford, 2001; p12."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "5829",
      "DOI": "10.1063/1.467146",
      "volume": "100",
      "author": "Sch\u00e4fer A.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "1007",
      "DOI": "10.1063/1.456153",
      "volume": "90",
      "author": "Dunning T. H.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "621",
      "DOI": "10.1002/jcc.10407",
      "volume": "25",
      "author": "Saunders M.",
      "year": "2004",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref19/cit19",
      "first-page": "199",
      "volume": "23",
      "author": "Lee T. J.",
      "year": "1989",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "362",
      "DOI": "10.1016/S0009-2614(03)00435-4",
      "volume": "372",
      "author": "Lee T. J.",
      "year": "2003",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "144108",
      "DOI": "10.1063/1.2348881",
      "volume": "125",
      "author": "Karton A.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "243",
      "DOI": "10.1016/S0009-2614(98)00111-0",
      "volume": "286",
      "author": "Halkier A.",
      "year": "1998",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "437",
      "DOI": "10.1016/S0009-2614(99)00179-7",
      "volume": "302",
      "author": "Halkier A.",
      "year": "1999",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "385",
      "DOI": "10.1103/PhysRev.81.385",
      "volume": "81",
      "author": "Slater J. C.",
      "year": "1951",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1139/p80-159",
      "volume": "58",
      "author": "Vosko S. H.",
      "year": "1980",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "1787",
      "DOI": "10.1002/jcc.20495",
      "volume": "27",
      "author": "Grimme S.",
      "year": "2006",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "8822",
      "DOI": "10.1103/PhysRevB.33.8822",
      "volume": "33",
      "author": "Perdew J. P.",
      "year": "2000",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "3098",
      "DOI": "10.1103/PhysRevA.38.3098",
      "volume": "38",
      "author": "Becke A. D.",
      "year": "1988",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "785",
      "DOI": "10.1103/PhysRevB.37.785",
      "volume": "37",
      "author": "Lee C.",
      "year": "1988",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "146401",
      "DOI": "10.1103/PhysRevLett.91.146401",
      "volume": "91",
      "author": "Tao J.",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "6158",
      "DOI": "10.1063/1.478522",
      "volume": "110",
      "author": "Adamo C.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "1372",
      "DOI": "10.1063/1.464304",
      "volume": "98",
      "author": "Becke A. D.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "5648",
      "DOI": "10.1063/1.464913",
      "volume": "98",
      "author": "Becke A. D.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "11623",
      "DOI": "10.1021/j100096a001",
      "volume": "98",
      "author": "Stephens P. J.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "034108",
      "DOI": "10.1063/1.2148954",
      "volume": "124",
      "author": "Grimme S.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "12868",
      "DOI": "10.1021/jp801805p",
      "volume": "112",
      "author": "Karton A.",
      "year": "2008",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "3405",
      "DOI": "10.1063/1.1774975",
      "volume": "121",
      "author": "Boese A. D.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "6908",
      "DOI": "10.1021/jp048147q",
      "volume": "108",
      "author": "Zhao Y.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "5656",
      "DOI": "10.1021/jp050536c",
      "volume": "109",
      "author": "Zhao Y.",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref40/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "161103",
      "DOI": "10.1063/1.2126975",
      "volume": "123",
      "author": "Zhao Y.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "364",
      "DOI": "10.1021/ct0502763",
      "volume": "2",
      "author": "Zhao Y.",
      "year": "2006",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "crossref",
      "first-page": "215",
      "DOI": "10.1007/s00214-007-0310-x",
      "volume": "120",
      "author": "Zhao Y.",
      "year": "2008",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "194101",
      "DOI": "10.1063/1.2370993",
      "volume": "125",
      "author": "Zhao Y.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "12753",
      "DOI": "10.1063/1.1627293",
      "volume": "119",
      "author": "Weigend F.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "652",
      "DOI": "10.1016/0009-2614(95)00838-U",
      "volume": "242",
      "author": "Eichkorn K.",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "119",
      "DOI": "10.1007/s002140050244",
      "volume": "97",
      "author": "Eichkorn K.",
      "year": "1997",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref47/cit47",
      "unstructured": "Werner, H. J.; et al. MOLPROversion 2006.1, a package of ab initio programs;University College Cardiff Consultants, Ltd.:Cardiff, 2006.See alsohttp://www.molpro.net(accessed Feb 3, 2009)."
    },
    {
      "key": "ref48/cit48",
      "volume-title": "Gaussian 03, Revision E.01",
      "author": "Frisch M. J.",
      "year": "2004"
    },
    {
      "key": "ref49/cit49",
      "volume-title": "NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.1",
      "author": "Bylaska E. J.",
      "year": "2007"
    },
    {
      "key": "ref50/cit50",
      "volume-title": "TURBOMOLE V5.10",
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      "DOI": "10.1016/0009-2614(89)85118-8",
      "volume": "162",
      "author": "Ahlrichs R.",
      "year": "1989",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref52/cit52",
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      "first-page": "3397",
      "DOI": "10.1039/b704725h",
      "volume": "9",
      "author": "Schwabe T.",
      "year": "2007",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
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      "first-page": "062201",
      "DOI": "10.1063/1.1904565",
      "volume": "123",
      "author": "Perdew J. P.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
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      "first-page": "1849",
      "DOI": "10.1021/ct800246v",
      "volume": "4",
      "author": "Zhao Y.",
      "year": "2008",
      "journal-title": "J. Chem. Theory Comput."
    },
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      "first-page": "4460",
      "DOI": "10.1002/anie.200600448",
      "volume": "45",
      "author": "Grimme S.",
      "year": "2006",
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