DOI: 10.1021/jp902453f. Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions

Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions

10.1021/jp902453f

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Croteau, T., Bertram, A. K., & Patey, G. N. (2009). Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions. The Journal of Physical Chemistry A, 113(27), 7826â7833.

Authors 3

T. Croteau (first)
A. K. Bertram (additional)
G. N. Patey (additional)

References 62 Referenced 75

10.1029/JZ063i002p00439 / J. Geophys. Res., Atmos. by Bauer S. E. (2004)
{'issue': '23', 'key': 'ref2/cit2', 'volume': '107', 'author': 'Lunt D. J.', 'year': '2002', 'journal-title': 'J. Geophys. Res., Atmos.'} / J. Geophys. Res., Atmos. by Lunt D. J. (2002)
{'issue': '21', 'key': 'ref3/cit3', 'volume': '107', 'author': 'Tegen I.', 'year': '2002', 'journal-title': 'J. Geophys. Res.-Atm.'} / J. Geophys. Res.-Atm. by Tegen I. (2002)
10.1029/98JD02345 / J. Geophys. Res., Atmos. by Tegen I. (1998)
10.1029/2000JD900795 / J. Geophys. Res., Atmos. by Woodward S. (2001)
10.1016/0025-3227(80)90107-3 / Mar. Geol. by Glaccum R. A. (1980)
{'issue': '4', 'key': 'ref7/cit7', 'volume': '109', 'author': 'Cziczo D. J.', 'year': '2004', 'journal-title': 'J. Geophys. Res., Atmos.'} / J. Geophys. Res., Atmos. by Cziczo D. J. (2004)
10.1073/pnas.2532677100 / Proc. Natl. Acad. Sci. U.S.A. by DeMott P. J. (2003)
10.1029/2008JD010639 / J. Geophys. Res., Atmos. by Eastwood M. L. (2008)
10.1029/2005JD006627 / J. Geophys. Res., Atmos. by Dymarska M. (2006)
10.1029/2001GL014289 / Geophys. Res. Lett. by Zuberi B. (2002)
10.1029/2008GL035846 / Geophys. Res. Lett. by Twohy C. H. (2009)
10.5194/acp-5-2289-2005 / Atmos. Chem. Phys. by Twohy C. H. (2005)
{'key': 'ref14/cit14', 'first-page': '129', 'volume-title': 'Climate Change 2007: The Physical Science Basis', 'author': 'Forster P.', 'year': '2007'} / Climate Change 2007: The Physical Science Basis by Forster P. (2007)
10.1175/BAMS-86-6-795 / Bull. Am. Meteor. Soc. by Cantrell W. (2005)
10.1021/cr020657y / Chem. Rev. by Usher C. R. (2003)
10.1016/j.atmosenv.2006.06.048 / Atmos. Environ. by Mogili P. K. (2006)
{'issue': '15', 'key': 'ref18/cit18', 'volume': '111', 'author': 'Mashburn C. D.', 'year': '2006', 'journal-title': 'J. Geophys. Res., Atmos.'} / J. Geophys. Res., Atmos. by Mashburn C. D. (2006)
10.1021/jp003722l / J. Phys. Chem. A by Goodman A. L. (2001)
10.1021/la051378j / Langmuir by Krueger B. J. (2005)
10.1039/b101700o / Phys. Chem. Chem. Phys. by Hanisch F. (2001)
{'issue': '10', 'key': 'ref22/cit22', 'volume': '110', 'author': 'Laskin A.', 'year': '2005', 'journal-title': 'J. Geophys. Res., Atmos.'} / J. Geophys. Res., Atmos. by Laskin A. (2005)
10.1021/jp056312b / J. Phys. Chem. A by Santschi C. (2006)
10.1021/jp037121g / J. Phys. Chem. B by Tunega D. (2004)
10.1021/jp026391g / J. Phys. Chem. B by Tunega D. (2002)
10.1021/la010914e / Langmuir by Tunega D. (2002)
10.1016/j.susc.2007.09.012 / Surf. Sci. by Hu X. L. (2007)
10.1016/j.susc.2007.12.032 / Surf. Sci. by Hu X. L. (2008)
10.1021/jp805615q / J. Phys. Chem. A by Croteau T. (2008)
Pruppacher, H. R.; Klett, J. D.Microphysics of Clouds and Precipitation, 2nd rev. ed.Kluwer Academic:Dordrecht, The Netherlands, 1997; pp329−331.
10.1039/b004000m / Phys. Chem. Chem. Phys. by Warne M. R. (2000)
10.1021/jp065687+ / J. Phys. Chem. C by Vasconcelos I. F. (2007)
10.1021/j100007a038 / J. Phys. Chem. by Delville A. (1995)
10.1103/PhysRevB.50.2593 / Phys. Rev. B by Wassermann B. (1994)
10.1007/s10595-005-0124-2 / Colloidal J. by Shevkunov S. V. (2005)
10.1134/S1061933X07030155 / Colloidal J. by Shevkunov S. V. (2007)
10.1103/PhysRevB.47.9732 / Phys. Rev. B by Taylor J. H. (1993)
10.1103/PhysRevLett.93.116101 / Phys. Rev. Lett. by Cerdá J. (2004)
10.1038/nmat1940 / Nat. Mater. by Michaelides A. (2007)
{'key': 'ref40/cit40', 'first-page': '8720', 'volume': '20', 'author': 'Nutt D. R.', 'year': '2004', 'journal-title': 'Langmuir'} / Langmuir by Nutt D. R. (2004)
10.1029/2007JD008973 / J. Geophys. Res. by Schuttlefield J. D. (2007)
{'key': 'ref42/cit42', 'first-page': '108', 'volume': '108', 'author': 'Cygan R. T.', 'year': '2004', 'journal-title': 'J. Phys. Chem. B'} / J. Phys. Chem. B by Cygan R. T. (2004)
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J.InIntermolecular Forces;Pullman, B., Ed.Reidel:Dordrecht, The Netherlands, 1981; p331. (10.1007/978-94-015-7658-1_21)
{'key': 'ref44/cit44', 'first-page': '783', 'volume': '41', 'author': 'Bish D. L.', 'year': '1993', 'journal-title': 'Clays Clay Miner.'} / Clays Clay Miner. by Bish D. L. (1993)
10.1021/j100308a038 / J. Phys. Chem. by Berendsen H. J. C. (1987)
10.1021/jp0495242 / J. Phys. Chem. B by Lisal M. (2004)
10.1063/1.481505 / J. Chem. Phys. by Mahoney M. W. (2000)
10.1063/1.476482 / J. Chem. Phys. by van der Spoel D. (1998)
10.1063/1.1862245 / J. Chem. Phys. by Vega C. (2005)
10.1006/jcis.1996.0557 / J. Colloid Interface Sci. by Brady P. V. (1996)
10.1346/CCMN.1998.0460205 / Clays Clay Miner. by Zbik M. (1998)
10.1139/t06-026 / Can. Geotech. J. by Wang Y.-S. (2006)
10.1080/00268979650026406 / Mol. Phys. by Shelley J. C. (1996)
10.1063/1.479595 / J. Chem. Phys. by Yeh I.-C. (1999)
{'key': 'ref55/cit55', 'volume-title': 'Computer Simulation of Liquids', 'author': 'Allen M. P.', 'year': '1987'} / Computer Simulation of Liquids by Allen M. P. (1987)
10.1063/1.469017 / J. Chem. Phys. by Shelley J. C. (1995)
{'key': 'ref57/cit57a', 'first-page': '379', 'volume': '53', 'author': 'Luzar A.', 'year': '1996', 'journal-title': 'Nature'} / Nature by Luzar A. (1996)
10.1103/PhysRevLett.76.928 / Phys. Rev. Lett. by Luzar A. (1996)
10.1063/1.1320826 / J. Chem. Phys. by Luzar A. (2000)
{'key': 'ref59/cit59', 'volume-title': 'Introduction to Solid State Physics', 'author': 'Kittel C.', 'year': '1953'} / Introduction to Solid State Physics by Kittel C. (1953)
10.1016/0039-6028(92)90809-K / Surf. Sci. by Kroes G. J. (1992)
10.1021/ie50510a031 / Ind. Eng. Chem. by Turnbull D. (1952)

Dates

Type	When
Created	16 years, 2 months ago (June 10, 2009, 9:57 a.m.)
Deposited	1 year, 5 months ago (March 14, 2024, 10:14 a.m.)
Indexed	2 weeks, 6 days ago (Aug. 6, 2025, 9:23 a.m.)
Issued	16 years, 2 months ago (June 10, 2009)
Published	16 years, 2 months ago (June 10, 2009)
Published Online	16 years, 2 months ago (June 10, 2009)
Published Print	16 years, 1 month ago (July 9, 2009)

Funders 0

None

BibTeX

@article{Croteau_2009, title={Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions}, volume={113}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp902453f}, DOI={10.1021/jp902453f}, number={27}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Croteau, T. and Bertram, A. K. and Patey, G. N.}, year={2009}, month=jun, pages={7826–7833} }

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      "issue": "20",
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      "author": "Tegen I.",
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    {
      "issue": "16",
      "key": "ref5/cit5",
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      "first-page": "18155",
      "DOI": "10.1029/2000JD900795",
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      "author": "Woodward S.",
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    },
    {
      "issue": "3",
      "key": "ref6/cit6",
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      "first-page": "295",
      "DOI": "10.1016/0025-3227(80)90107-3",
      "volume": "37",
      "author": "Glaccum R. A.",
      "year": "1980",
      "journal-title": "Mar. Geol."
    },
    {
      "issue": "4",
      "key": "ref7/cit7",
      "volume": "109",
      "author": "Cziczo D. J.",
      "year": "2004",
      "journal-title": "J. Geophys. Res., Atmos."
    },
    {
      "issue": "25",
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "14655",
      "DOI": "10.1073/pnas.2532677100",
      "volume": "100",
      "author": "DeMott P. J.",
      "year": "2003",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "DOI": "10.1029/2008JD010639",
      "volume": "113",
      "author": "Eastwood M. L.",
      "year": "2008",
      "journal-title": "J. Geophys. Res., Atmos."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "D4",
      "DOI": "10.1029/2005JD006627",
      "volume": "111",
      "author": "Dymarska M.",
      "year": "2006",
      "journal-title": "J. Geophys. Res., Atmos."
    },
    {
      "issue": "10",
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "DOI": "10.1029/2001GL014289",
      "volume": "29",
      "author": "Zuberi B.",
      "year": "2002",
      "journal-title": "Geophys. Res. Lett."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "DOI": "10.1029/2008GL035846",
      "volume": "36",
      "author": "Twohy C. H.",
      "year": "2009",
      "journal-title": "Geophys. Res. Lett."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "2289",
      "DOI": "10.5194/acp-5-2289-2005",
      "volume": "5",
      "author": "Twohy C. H.",
      "year": "2005",
      "journal-title": "Atmos. Chem. Phys."
    },
    {
      "key": "ref14/cit14",
      "first-page": "129",
      "volume-title": "Climate Change 2007: The Physical Science Basis",
      "author": "Forster P.",
      "year": "2007"
    },
    {
      "issue": "6",
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "795",
      "DOI": "10.1175/BAMS-86-6-795",
      "volume": "86",
      "author": "Cantrell W.",
      "year": "2005",
      "journal-title": "Bull. Am. Meteor. Soc."
    },
    {
      "issue": "12",
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "4883",
      "DOI": "10.1021/cr020657y",
      "volume": "103",
      "author": "Usher C. R.",
      "year": "2003",
      "journal-title": "Chem. Rev."
    },
    {
      "issue": "38",
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "7401",
      "DOI": "10.1016/j.atmosenv.2006.06.048",
      "volume": "40",
      "author": "Mogili P. K.",
      "year": "2006",
      "journal-title": "Atmos. Environ."
    },
    {
      "issue": "15",
      "key": "ref18/cit18",
      "volume": "111",
      "author": "Mashburn C. D.",
      "year": "2006",
      "journal-title": "J. Geophys. Res., Atmos."
    },
    {
      "issue": "26",
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "6443",
      "DOI": "10.1021/jp003722l",
      "volume": "105",
      "author": "Goodman A. L.",
      "year": "2001",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "issue": "19",
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "8793",
      "DOI": "10.1021/la051378j",
      "volume": "21",
      "author": "Krueger B. J.",
      "year": "2005",
      "journal-title": "Langmuir"
    },
    {
      "issue": "12",
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "2474",
      "DOI": "10.1039/b101700o",
      "volume": "3",
      "author": "Hanisch F.",
      "year": "2001",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "issue": "10",
      "key": "ref22/cit22",
      "volume": "110",
      "author": "Laskin A.",
      "year": "2005",
      "journal-title": "J. Geophys. Res., Atmos."
    },
    {
      "issue": "21",
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "6789",
      "DOI": "10.1021/jp056312b",
      "volume": "110",
      "author": "Santschi C.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "5930",
      "DOI": "10.1021/jp037121g",
      "volume": "108",
      "author": "Tunega D.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "11515",
      "DOI": "10.1021/jp026391g",
      "volume": "106",
      "author": "Tunega D.",
      "year": "2002",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "139",
      "DOI": "10.1021/la010914e",
      "volume": "18",
      "author": "Tunega D.",
      "year": "2002",
      "journal-title": "Langmuir"
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "5378",
      "DOI": "10.1016/j.susc.2007.09.012",
      "volume": "601",
      "author": "Hu X. L.",
      "year": "2007",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "960",
      "DOI": "10.1016/j.susc.2007.12.032",
      "volume": "602",
      "author": "Hu X. L.",
      "year": "2008",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "10708",
      "DOI": "10.1021/jp805615q",
      "volume": "12",
      "author": "Croteau T.",
      "year": "2008",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref30/cit30",
      "unstructured": "Pruppacher, H. R.; Klett, J. D.Microphysics of Clouds and Precipitation, 2nd rev. ed.Kluwer Academic:Dordrecht, The Netherlands, 1997; pp329\u2212331."
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "3663",
      "DOI": "10.1039/b004000m",
      "volume": "2",
      "author": "Warne M. R.",
      "year": "2000",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "6753",
      "DOI": "10.1021/jp065687+",
      "volume": "111",
      "author": "Vasconcelos I. F.",
      "year": "2007",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "2033",
      "DOI": "10.1021/j100007a038",
      "volume": "99",
      "author": "Delville A.",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "2593",
      "DOI": "10.1103/PhysRevB.50.2593",
      "volume": "50",
      "author": "Wassermann B.",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "497",
      "DOI": "10.1007/s10595-005-0124-2",
      "volume": "67",
      "author": "Shevkunov S. V.",
      "year": "2005",
      "journal-title": "Colloidal J."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "360",
      "DOI": "10.1134/S1061933X07030155",
      "volume": "69",
      "author": "Shevkunov S. V.",
      "year": "2007",
      "journal-title": "Colloidal J."
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "9732",
      "DOI": "10.1103/PhysRevB.47.9732",
      "volume": "47",
      "author": "Taylor J. H.",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "116101",
      "DOI": "10.1103/PhysRevLett.93.116101",
      "volume": "93",
      "author": "Cerd\u00e1 J.",
      "year": "2004",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "597",
      "DOI": "10.1038/nmat1940",
      "volume": "6",
      "author": "Michaelides A.",
      "year": "2007",
      "journal-title": "Nat. Mater."
    },
    {
      "key": "ref40/cit40",
      "first-page": "8720",
      "volume": "20",
      "author": "Nutt D. R.",
      "year": "2004",
      "journal-title": "Langmuir"
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "D21303",
      "DOI": "10.1029/2007JD008973",
      "volume": "112",
      "author": "Schuttlefield J. D.",
      "year": "2007",
      "journal-title": "J. Geophys. Res."
    },
    {
      "key": "ref42/cit42",
      "first-page": "108",
      "volume": "108",
      "author": "Cygan R. T.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "unstructured": "Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J.InIntermolecular Forces;Pullman, B., Ed.Reidel:Dordrecht, The Netherlands, 1981; p331.",
      "DOI": "10.1007/978-94-015-7658-1_21"
    },
    {
      "key": "ref44/cit44",
      "first-page": "783",
      "volume": "41",
      "author": "Bish D. L.",
      "year": "1993",
      "journal-title": "Clays Clay Miner."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "6269",
      "DOI": "10.1021/j100308a038",
      "volume": "91",
      "author": "Berendsen H. J. C.",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "7412",
      "DOI": "10.1021/jp0495242",
      "volume": "108",
      "author": "Lisal M.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "first-page": "8910",
      "DOI": "10.1063/1.481505",
      "volume": "112",
      "author": "Mahoney M. W.",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "10220",
      "DOI": "10.1063/1.476482",
      "volume": "108",
      "author": "van der Spoel D.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "114507",
      "DOI": "10.1063/1.1862245",
      "volume": "122",
      "author": "Vega C.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "356",
      "DOI": "10.1006/jcis.1996.0557",
      "volume": "183",
      "author": "Brady P. V.",
      "year": "1996",
      "journal-title": "J. Colloid Interface Sci."
    },
    {
      "issue": "2",
      "key": "ref51/cit51",
      "doi-asserted-by": "crossref",
      "first-page": "153",
      "DOI": "10.1346/CCMN.1998.0460205",
      "volume": "46",
      "author": "Zbik M.",
      "year": "1998",
      "journal-title": "Clays Clay Miner."
    },
    {
      "key": "ref52/cit52",
      "doi-asserted-by": "crossref",
      "first-page": "587",
      "DOI": "10.1139/t06-026",
      "volume": "43",
      "author": "Wang Y.-S.",
      "year": "2006",
      "journal-title": "Can. Geotech. J."
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "385",
      "DOI": "10.1080/00268979650026406",
      "volume": "88",
      "author": "Shelley J. C.",
      "year": "1996",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "3155",
      "DOI": "10.1063/1.479595",
      "volume": "111",
      "author": "Yeh I.-C.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref55/cit55",
      "volume-title": "Computer Simulation of Liquids",
      "author": "Allen M. P.",
      "year": "1987"
    },
    {
      "key": "ref56/cit56",
      "doi-asserted-by": "crossref",
      "first-page": "7656",
      "DOI": "10.1063/1.469017",
      "volume": "102",
      "author": "Shelley J. C.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref57/cit57a",
      "first-page": "379",
      "volume": "53",
      "author": "Luzar A.",
      "year": "1996",
      "journal-title": "Nature"
    },
    {
      "key": "ref57/cit57b",
      "doi-asserted-by": "crossref",
      "first-page": "928",
      "DOI": "10.1103/PhysRevLett.76.928",
      "volume": "76",
      "author": "Luzar A.",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref58/cit58",
      "doi-asserted-by": "crossref",
      "first-page": "10663",
      "DOI": "10.1063/1.1320826",
      "volume": "113",
      "author": "Luzar A.",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref59/cit59",
      "volume-title": "Introduction to Solid State Physics",
      "author": "Kittel C.",
      "year": "1953"
    },
    {
      "key": "ref60/cit60",
      "doi-asserted-by": "crossref",
      "first-page": "365",
      "DOI": "10.1016/0039-6028(92)90809-K",
      "volume": "275",
      "author": "Kroes G. J.",
      "year": "1992",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "ref61/cit61",
      "doi-asserted-by": "crossref",
      "first-page": "1292",
      "DOI": "10.1021/ie50510a031",
      "volume": "44",
      "author": "Turnbull D.",
      "year": "1952",
      "journal-title": "Ind. Eng. Chem."
    }
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