DOI: 10.1021/ct500513b. Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions

Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions

10.1021/ct500513b

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Brauer, B., Kesharwani, M. K., & Martin, J. M. L. (2014). Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions. Journal of Chemical Theory and Computation, 10(9), 3791â3799.

Authors 3

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

References 62 Referenced 117

10.1063/1.1680654 / J. Chem. Phys. by Liu B. (1973)
10.1080/00268977000101561 / Mol. Phys. by Boys S. F. (1970)
10.1080/00268970110088901 / Mol. Phys. by Boys S. F. (2002)
10.1080/00268970110088893 / Mol. Phys. by Handy N. C. (2002)
10.1016/0009-2614(69)80118-1 / Chem. Phys. Lett. by Jansen H. B. (1969)
10.1021/cr00031a007 / Chem. Rev. by Van Duijneveldt F. B. (1994)
10.1007/s002140050248 / Theor. Chem. Acc. by Halkier A. (1997)
10.1063/1.479830 / J. Chem. Phys. by Halkier A. (1999)
10.1063/1.462652 / J. Chem. Phys. by Feller D. (1992)
10.1063/1.470440 / J. Chem. Phys. by Klopper W. (1995)
10.1016/S0065-3276(08)60185-9 / Adv. Quantum Chem. by Van Mourik T. (1998)
10.1021/jp952860l / J. Phys. Chem. by Feyereisen M. W. (1996)
10.1063/1.468725 / J. Chem. Phys. by Peterson K. A. (1995)
10.1039/b704725h / Phys. Chem. Chem. Phys. by Schwabe T. (2007)
10.1021/ct400149j / J. Chem. Theory Comput. by Burns L. A. (2014)
10.1021/jp001507z / J. Phys. Chem. A by Dunning T. H. (2000)
10.1016/0009-2614(93)E1356-L / Chem. Phys. Lett. by Davidson E. R. (1994)
10.1016/0009-2614(95)00612-8 / Chem. Phys. Lett. by Davidson E. R. (1995)
10.1080/01442350110071957 / Int. Rev. Phys. Chem. by Tao F.-M. (2001)
10.1002/qua.560280805 / Int. J. Quantum Chem. by Löwdin P. O. (1986)
10.1063/1.459550 / J. Chem. Phys. by Bauschlicher C. W. (1990)
10.1007/978-3-642-58150-2_7 / Lecture Notes in Chemistry 58 by Taylor P. R. (1992)
10.1021/cr200168z / Chem. Rev. by Hättig C. (2012)
10.1021/cr200204r / Chem. Rev. by Kong L. (2012)
10.1002/wcms.68 / Wiley Interdiscip. Rev. Comput. Mol. Sci. by Ten-no S. (2012)
10.1063/1.3653230 / J. Chem. Phys. by McMahon J. D. (2011)
10.1063/1.3526956 / J. Chem. Phys. by De Lange K. M. (2011)
10.1063/1.4819125 / J. Chem. Phys. by Feller D. (2013)
10.1039/C0CP01493A / Phys. Chem. Chem. Phys. by Boese A. D. (2011)
{'key': 'ref30/cit30', 'volume-title': 'MOLPRO', 'author': 'Werner H.-J.', 'year': '2012'} / MOLPRO by Werner H.-J. (2012)
10.1063/1.2831537 / J. Chem. Phys. by Peterson K. A. (2008)
10.1063/1.3009271 / J. Chem. Phys. by Yousaf K. E. (2008)
10.1016/j.cplett.2009.06.003 / Chem. Phys. Lett. by Yousaf K. E. (2009)
10.1002/jcc.20702 / J. Comput. Chem. by Weigend F. (2008)
Peterson, K. A.; Martin, J. M. L.The cc-pV5Z-F12 Basis Set for Explicitly Correlated Calculations near the Basis Set Limit [working Title]. To be published.
10.1063/1.2817618 / J. Chem. Phys. by Adler T. B. (2007)
10.1016/j.chemphys.2008.10.012 / Chem. Phys. by Noga J. (2009)
10.1063/1.3054300 / J. Chem. Phys. by Knizia G. (2009)
10.1063/1.3442368 / J. Chem. Phys. by Hättig C. (2010)
10.1039/b804334e / Phys. Chem. Chem. Phys. by Marchetti O. (2008)
10.1021/ct500174q / J. Chem. Theory Comput. by Martin J. M. L. (2014)
10.1016/j.cplett.2004.09.041 / Chem. Phys. Lett. by Ten-no S. (2004)
10.1039/B600027D / Phys. Chem. Chem. Phys. by Jurecka P. (2006)
10.1021/ct1002253 / J. Chem. Theory Comput. by Gráfová L. (2010)
10.1021/ct2002946 / J. Chem. Theory Comput. by Rezáč J. (2011)
10.1021/ct200523a / J. Chem. Theory Comput. by Řezáč J. (2011)
10.1135/cccc20081261 / Collect. Czechoslov. Chem. Commun. by Řezáč J. (2008)
10.1063/1.3382344 / J. Chem. Phys. by Grimme S. (2010)
10.1021/ct100466k / J. Chem. Theory Comput. by Goerigk L. (2011)
10.1002/jcc.21759 / J. Comput. Chem. by Grimme S. (2011)
10.1063/1.3013140 / J. Chem. Phys. by Barnes E. C. (2008)
10.1063/1.2173988 / J. Chem. Phys. by DeYonker N. J. (2006)
10.1080/00268970902744359 / Mol. Phys. by DeYonker N. J. (2009)
10.1021/ct300956e / J. Chem. Theory Comput. by Mahler A. (2013)
10.1021/jp312644t / J. Phys. Chem. A by Fogueri U. R. (2013)
10.1021/jp410723v / J. Phys. Chem. A by Kozuch S. (2014)
10.1007/3-540-45457-8_9 / Infrared Spectroscopy of Molecular Clusters by Havenith M. (2002)
10.1063/1.1599338 / J. Chem. Phys. by Boese A. D. (2003)
10.1016/S0009-2614(98)00111-0 / Chem. Phys. Lett. by Halkier A. (1998)
10.1016/0009-2614(96)00898-6 / Chem. Phys. Lett. by Martin J. M. L. (1996)
10.1063/1.3265857 / J. Chem. Phys. by Hill J. G. (2009)
10.1063/1.3659142 / J. Chem. Phys. by Marshall M. S. (2011)

Dates

Type	When
Created	11 years, 1 month ago (July 23, 2014, 4:57 p.m.)
Deposited	2 years, 4 months ago (April 23, 2023, 6:03 p.m.)
Indexed	1 month ago (July 30, 2025, 10:41 a.m.)
Issued	11 years, 1 month ago (July 31, 2014)
Published	11 years, 1 month ago (July 31, 2014)
Published Online	11 years, 1 month ago (July 31, 2014)
Published Print	10 years, 11 months ago (Sept. 9, 2014)

Funders 1

Helen and Martin Kimmel Center for Molecular Design

BibTeX

@article{Brauer_2014, title={Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions}, volume={10}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct500513b}, DOI={10.1021/ct500513b}, number={9}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Brauer, Brina and Kesharwani, Manoj K. and Martin, Jan M. L.}, year={2014}, month=jul, pages={3791–3799} }

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      "key": "ref3/cit3",
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      "DOI": "10.1080/00268970110088893",
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      "author": "Handy N. C.",
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    {
      "key": "ref5/cit5",
      "doi-asserted-by": "crossref",
      "first-page": "140",
      "DOI": "10.1016/0009-2614(69)80118-1",
      "volume": "3",
      "author": "Jansen H. B.",
      "year": "1969",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "1873",
      "DOI": "10.1021/cr00031a007",
      "volume": "94",
      "author": "Van Duijneveldt F. B.",
      "year": "1994",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "150",
      "DOI": "10.1007/s002140050248",
      "volume": "97",
      "author": "Halkier A.",
      "year": "1997",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "9157",
      "DOI": "10.1063/1.479830",
      "volume": "111",
      "author": "Halkier A.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "6104",
      "DOI": "10.1063/1.462652",
      "volume": "96",
      "author": "Feller D.",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "6127",
      "DOI": "10.1063/1.470440",
      "volume": "103",
      "author": "Klopper W.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "105",
      "DOI": "10.1016/S0065-3276(08)60185-9",
      "volume": "31",
      "author": "Van Mourik T.",
      "year": "1998",
      "journal-title": "Adv. Quantum Chem."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "2993",
      "DOI": "10.1021/jp952860l",
      "volume": "100",
      "author": "Feyereisen M. W.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "2032",
      "DOI": "10.1063/1.468725",
      "volume": "102",
      "author": "Peterson K. A.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "3397",
      "DOI": "10.1039/b704725h",
      "volume": "9",
      "author": "Schwabe T.",
      "year": "2007",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "49",
      "DOI": "10.1021/ct400149j",
      "volume": "10",
      "author": "Burns L. A.",
      "year": "2014",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "9062",
      "DOI": "10.1021/jp001507z",
      "volume": "104",
      "author": "Dunning T. H.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "48",
      "DOI": "10.1016/0009-2614(93)E1356-L",
      "volume": "217",
      "author": "Davidson E. R.",
      "year": "1994",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "146",
      "DOI": "10.1016/0009-2614(95)00612-8",
      "volume": "241",
      "author": "Davidson E. R.",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "617",
      "DOI": "10.1080/01442350110071957",
      "volume": "20",
      "author": "Tao F.-M.",
      "year": "2001",
      "journal-title": "Int. Rev. Phys. Chem."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "19",
      "DOI": "10.1002/qua.560280805",
      "volume": "28",
      "author": "L\u00f6wdin P. O.",
      "year": "1986",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "502",
      "DOI": "10.1063/1.459550",
      "volume": "93",
      "author": "Bauschlicher C. W.",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "325",
      "DOI": "10.1007/978-3-642-58150-2_7",
      "volume-title": "Lecture Notes in Chemistry 58",
      "author": "Taylor P. R.",
      "year": "1992"
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "4",
      "DOI": "10.1021/cr200168z",
      "volume": "112",
      "author": "H\u00e4ttig C.",
      "year": "2012",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "75",
      "DOI": "10.1021/cr200204r",
      "volume": "112",
      "author": "Kong L.",
      "year": "2012",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "114",
      "DOI": "10.1002/wcms.68",
      "volume": "2",
      "author": "Ten-no S.",
      "year": "2012",
      "journal-title": "Wiley Interdiscip. Rev. Comput. Mol. Sci."
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "154309",
      "DOI": "10.1063/1.3653230",
      "volume": "135",
      "author": "McMahon J. D.",
      "year": "2011",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "034301",
      "DOI": "10.1063/1.3526956",
      "volume": "134",
      "author": "De Lange K. M.",
      "year": "2011",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "084110",
      "DOI": "10.1063/1.4819125",
      "volume": "139",
      "author": "Feller D.",
      "year": "2013",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "1230",
      "DOI": "10.1039/C0CP01493A",
      "volume": "13",
      "author": "Boese A. D.",
      "year": "2011",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref30/cit30",
      "volume-title": "MOLPRO",
      "author": "Werner H.-J.",
      "year": "2012"
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "084102",
      "DOI": "10.1063/1.2831537",
      "volume": "128",
      "author": "Peterson K. A.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "184108",
      "DOI": "10.1063/1.3009271",
      "volume": "129",
      "author": "Yousaf K. E.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "303",
      "DOI": "10.1016/j.cplett.2009.06.003",
      "volume": "476",
      "author": "Yousaf K. E.",
      "year": "2009",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "167",
      "DOI": "10.1002/jcc.20702",
      "volume": "29",
      "author": "Weigend F.",
      "year": "2008",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref35/cit35",
      "unstructured": "Peterson, K. A.; Martin, J. M. L.The cc-pV5Z-F12 Basis Set for Explicitly Correlated Calculations near the Basis Set Limit [working Title]. To be published."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "221106",
      "DOI": "10.1063/1.2817618",
      "volume": "127",
      "author": "Adler T. B.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/j.chemphys.2008.10.012",
      "volume": "356",
      "author": "Noga J.",
      "year": "2009",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "054104",
      "DOI": "10.1063/1.3054300",
      "volume": "130",
      "author": "Knizia G.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "231102",
      "DOI": "10.1063/1.3442368",
      "volume": "132",
      "author": "H\u00e4ttig C.",
      "year": "2010",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref40/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "3400",
      "DOI": "10.1039/b804334e",
      "volume": "10",
      "author": "Marchetti O.",
      "year": "2008",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "2085",
      "DOI": "10.1021/ct500174q",
      "volume": "10",
      "author": "Martin J. M. L.",
      "year": "2014",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "crossref",
      "first-page": "56",
      "DOI": "10.1016/j.cplett.2004.09.041",
      "volume": "398",
      "author": "Ten-no S.",
      "year": "2004",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "1985",
      "DOI": "10.1039/B600027D",
      "volume": "8",
      "author": "Jurecka P.",
      "year": "2006",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "2365",
      "DOI": "10.1021/ct1002253",
      "volume": "6",
      "author": "Gr\u00e1fov\u00e1 L.",
      "year": "2010",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "2427",
      "DOI": "10.1021/ct2002946",
      "volume": "7",
      "author": "Rez\u00e1\u010d J.",
      "year": "2011",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "3466",
      "DOI": "10.1021/ct200523a",
      "volume": "7",
      "author": "\u0158ez\u00e1\u010d J.",
      "year": "2011",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "first-page": "1261",
      "DOI": "10.1135/cccc20081261",
      "volume": "73",
      "author": "\u0158ez\u00e1\u010d J.",
      "year": "2008",
      "journal-title": "Collect. Czechoslov. Chem. Commun."
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "154104",
      "DOI": "10.1063/1.3382344",
      "volume": "132",
      "author": "Grimme S.",
      "year": "2010",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "291",
      "DOI": "10.1021/ct100466k",
      "volume": "7",
      "author": "Goerigk L.",
      "year": "2011",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "1456",
      "DOI": "10.1002/jcc.21759",
      "volume": "32",
      "author": "Grimme S.",
      "year": "2011",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref51/cit51",
      "doi-asserted-by": "crossref",
      "first-page": "194115",
      "DOI": "10.1063/1.3013140",
      "volume": "129",
      "author": "Barnes E. C.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref52/cit52",
      "doi-asserted-by": "crossref",
      "first-page": "114104",
      "DOI": "10.1063/1.2173988",
      "volume": "124",
      "author": "DeYonker N. J.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "1107",
      "DOI": "10.1080/00268970902744359",
      "volume": "107",
      "author": "DeYonker N. J.",
      "year": "2009",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "1402",
      "DOI": "10.1021/ct300956e",
      "volume": "9",
      "author": "Mahler A.",
      "year": "2013",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref55/cit55",
      "doi-asserted-by": "crossref",
      "first-page": "2269",
      "DOI": "10.1021/jp312644t",
      "volume": "117",
      "author": "Fogueri U. R.",
      "year": "2013",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref56/cit56",
      "doi-asserted-by": "crossref",
      "first-page": "293",
      "DOI": "10.1021/jp410723v",
      "volume": "118",
      "author": "Kozuch S.",
      "year": "2014",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref57/cit57",
      "doi-asserted-by": "crossref",
      "first-page": "97",
      "DOI": "10.1007/3-540-45457-8_9",
      "volume-title": "Infrared Spectroscopy of Molecular Clusters",
      "volume": "176",
      "author": "Havenith M.",
      "year": "2002"
    },
    {
      "key": "ref58/cit58",
      "doi-asserted-by": "crossref",
      "first-page": "5965",
      "DOI": "10.1063/1.1599338",
      "volume": "119",
      "author": "Boese A. D.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref59/cit59",
      "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": "ref60/cit60",
      "doi-asserted-by": "crossref",
      "first-page": "669",
      "DOI": "10.1016/0009-2614(96)00898-6",
      "volume": "259",
      "author": "Martin J. M. L.",
      "year": "1996",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref61/cit61",
      "doi-asserted-by": "crossref",
      "first-page": "194105",
      "DOI": "10.1063/1.3265857",
      "volume": "131",
      "author": "Hill J. G.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref62/cit62",
      "doi-asserted-by": "crossref",
      "first-page": "194102",
      "DOI": "10.1063/1.3659142",
      "volume": "135",
      "author": "Marshall M. S.",
      "year": "2011",
      "journal-title": "J. Chem. Phys."
    }
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