DOI: 10.1039/c003550e. New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study

New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study

10.1039/c003550e

Crossref journal-article

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics (292)

Bibliography

Forler, N., Vasconcelos, F., Cristol, S., Paul, J.-F., Montagne, L., Charpentier, T., Mauri, F., & Delevoye, L. (2010). New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study. Physical Chemistry Chemical Physics, 12(31), 9053.

Authors 8

Nina Forler (first)
Filipe Vasconcelos (additional)
Sylvain Cristol (additional)
Jean-François Paul (additional)
Lionel Montagne (additional)
Thibault Charpentier (additional)
Francesco Mauri (additional)
Laurent Delevoye (additional)

References 65 Referenced 19

10.1007/s11167-005-0522-6 / Russ. J. Appl. Chem. by Karapetyan (2005)
{'issue': '4', 'key': 'c003550e-(cit2)/*[position()=1]', 'first-page': '323', 'volume': '57', 'author': 'Ivanenko', 'year': '2007', 'journal-title': 'Landbauforschung Volkenrode'} / Landbauforschung Volkenrode by Ivanenko (2007)
10.1039/B810675D / J. Mater. Chem. by Abou Neel (2009)
10.1016/j.actbio.2008.09.019 / Acta Biomater. by Valappil (2009)
10.2113/GSELEMENTS.4.2.113 / Elements by Oelkers (2008)
10.1016/j.jnoncrysol.2006.05.036 / J. Non-Cryst. Solids by Sigaev (2006)
10.1021/jp074335f / J. Phys. Chem. C by Dussauze (2007)
10.1016/S0022-3093(99)00471-8 / J. Non-Cryst. Solids by Mercier (1999)
{'issue': '12', 'key': 'c003550e-(cit9)/*[position()=1]', 'first-page': '729', 'volume': '10', 'author': 'Clément', 'year': '1999', 'journal-title': 'J. Mater. Sci.: Mater. Med.'} / J. Mater. Sci.: Mater. Med. by Clément (1999)
10.1039/b709955j / J. Mater. Chem. by Pickup (2007)
10.1179/174367606X81687 / Adv. Appl. Ceram. by Bingham (2006)
{'issue': '4', 'key': 'c003550e-(cit12)/*[position()=1]', 'first-page': '313', 'volume': '47', 'author': 'Bingham', 'year': '2006', 'journal-title': 'Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B'} / Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B by Bingham (2006)
10.1016/j.jnoncrysol.2009.03.008 / J. Non-Cryst. Solids by Bingham (2009)
10.1016/S0022-3093(99)00620-1 / J. Non-Cryst. Solids by Brow (2000)
10.1021/jp9824252 / J. Phys. Chem. B by Wenslow (1998)
10.1016/j.jnoncrysol.2007.02.008 / J. Non-Cryst. Solids by Carta (2007)
10.1016/S0009-2614(01)00151-8 / Chem. Phys. Lett. by Alam (2001)
10.1016/j.ssnmr.2004.08.006 / Solid State Nucl. Magn. Reson. by Alam (2005)
10.1016/S0022-3093(98)00394-9 / J. Non-Cryst. Solids by Hussin (1998)
10.1016/j.jnoncrysol.2008.03.046 / J. Non-Cryst. Solids by Angeli (2008)
10.1016/j.jnoncrysol.2007.05.122 / J. Non-Cryst. Solids by Du (2007)
10.1021/ja074428a / J. Am. Chem. Soc. by Ashbrook (2007)
10.1021/jp810667e / J. Phys. Chem. B by Lee (2009)
10.1016/j.theochem.2004.02.005 / J. Mol. Struct.: Theochem by Alam (2004)
10.1021/ja00124a023 / J. Am. Chem. Soc. by Frydman (1995)
10.1021/ja00156a015 / J. Am. Chem. Soc. by Medek (1995)
10.1021/ja9939791 / J. Am. Chem. Soc. by Gan (2000)
10.1063/1.1374958 / J. Chem. Phys. by Gan (2001)
10.1103/PhysRevB.63.245101 / Phys. Rev. B: Condens. Matter Mater. Phys. by Pickard (2001)
10.1021/ja027124r / J. Am. Chem. Soc. by Profeta (2003)
10.1021/jp0367225 / J. Phys. Chem. B by Charpentier (2004)
10.1021/jp048462c / J. Phys. Chem. B by Gervais (2004)
10.1021/jp0492570 / J. Phys. Chem. B by Benoit (2005)
10.1039/B618211A / Phys. Chem. Chem. Phys. by Ashbrook (2007)
10.1016/j.jmr.2007.03.018 / J. Magn. Reson. by Gervais (2007)
10.1016/j.crci.2007.09.011 / C. R. Chim. by Pourpoint (2008)
10.1021/ic800637p / Inorg. Chem. by Vasconcelos (2008)
10.1016/S0022-3093(02)01420-5 / J. Non-Cryst. Solids by Zeyer (2002)
10.1039/b604803j / Chem. Commun. by Flambard (2006)
10.1006/jmre.2000.2192 / J. Magn. Reson. by Iuga (2000)
10.1006/jmra.1996.0221 / Journal of Magnetic Resonance by Amoureux (1996)
10.1016/S0009-2614(02)00398-6 / Chem. Phys. Lett. by Amoureux (2002)
10.1016/S1090-7807(03)00134-4 / J. Magn. Reson. by Massiot (2003)
10.1103/PhysRev.136.B864 / Phys. Rev. by Hohenberg (1964)
10.1103/PhysRev.140.A1133 / Phys. Rev. by Kohn (1965)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
10.1103/PhysRevB.43.1993 / Phys. Rev. B: Condens. Matter by Trouillier (1991)
10.1103/PhysRevB.50.17953 / Phys. Rev. B: Condens. Matter by Blöchl (1994)
10.1021/ja027124r / J. Am. Chem. Soc. by Profeta (2003)
10.1080/00268970110069010 / Mol. Phys. by Pyykkö (2001)
10.1002/mrc.2132 / Magn. Reson. Chem. by Harris (2007)
10.1103/PhysRevB.48.13115 / Phys. Rev. B: Condens. Matter by Kresse (1993)
10.1103/PhysRevB.54.11169 / Phys. Rev. B: Condens. Matter by Kresse (1996)
10.1103/PhysRevB.54.16533 / Phys. Rev. B: Condens. Matter by Perdew (1996)
10.1103/PhysRevB.59.1758 / Phys. Rev. B: Condens. Matter Mater. Phys. by Kresse (1999)
10.1016/0009-2614(81)85562-5 / Chem. Phys. Lett. by Choudhary (1981)
{'issue': '10', 'key': 'c003550e-(cit59)/*[position()=1]', 'first-page': '1533', 'volume': '47', 'author': 'Selevich', 'year': '2002', 'journal-title': 'Russ. J. Inorg. Chem.'} / Russ. J. Inorg. Chem. by Selevich (2002)
10.1107/S0567740876003051 / Acta Crystallogr. B by Catti (1976)
10.1107/S0567740876004500 / Acta Crystallogr. B by Bartl (1976)
10.1002/mrc.984 / Magn. Reson. Chem. by Massiot (2002)
10.1063/1.476903 / J. Chem. Phys. by Charpentier (1998)
10.1103/PhysRevB.70.064202 / Phys. Rev. B: Condens. Matter Mater. Phys. by Clark (2004)
10.1021/ja00321a002 / J. Am. Chem. Soc. by Schramm (1984)
10.1021/jp011289p / J. Phys. Chem. B by Clark (2001)
10.1021/jp900297r / J. Phys. Chem. C by Charpentier (2009)

Dates

Type	When
Created	15 years, 2 months ago (June 18, 2010, 4:30 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 8:42 a.m.)
Indexed	1 year, 4 months ago (April 17, 2024, 8:45 p.m.)
Issued	15 years, 7 months ago (Jan. 1, 2010)
Published	15 years, 7 months ago (Jan. 1, 2010)
Published Print	15 years, 7 months ago (Jan. 1, 2010)

Funders 0

None

BibTeX

@article{Forler_2010, title={New insights into oxygen environments generated during phosphate glass alteration: a combined 17O MAS and MQMAS NMR and first principles calculations study}, volume={12}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/c003550e}, DOI={10.1039/c003550e}, number={31}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Forler, Nina and Vasconcelos, Filipe and Cristol, Sylvain and Paul, Jean-François and Montagne, Lionel and Charpentier, Thibault and Mauri, Francesco and Delevoye, Laurent}, year={2010}, pages={9053} }

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      "volume": "352",
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      "year": "2006",
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      "year": "1999",
      "journal-title": "J. Non-Cryst. Solids"
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      "first-page": "729",
      "volume": "10",
      "author": "Cl\u00e9ment",
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      "DOI": "10.1021/jp9824252",
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      "author": "Wenslow",
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      "year": "2001",
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      "key": "c003550e-(cit18)/*[position()=1]",
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      "author": "Hussin",
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    {
      "issue": "31",
      "key": "c003550e-(cit20)/*[position()=1]",
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      "year": "2008",
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    {
      "issue": "30\u201331",
      "key": "c003550e-(cit21)/*[position()=1]",
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      "year": "2007",
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      "DOI": "10.1021/ja074428a",
      "volume": "129",
      "author": "Ashbrook",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "issue": "15",
      "key": "c003550e-(cit23)/*[position()=1]",
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      "first-page": "5162",
      "DOI": "10.1021/jp810667e",
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      "author": "Lee",
      "year": "2009",
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      "key": "c003550e-(cit25)/*[position()=1]",
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      "first-page": "5367",
      "DOI": "10.1021/ja00124a023",
      "volume": "117",
      "author": "Frydman",
      "year": "1995",
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    },
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      "issue": "51",
      "key": "c003550e-(cit26)/*[position()=1]",
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      "first-page": "12779",
      "DOI": "10.1021/ja00156a015",
      "volume": "117",
      "author": "Medek",
      "year": "1995",
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    },
    {
      "issue": "13",
      "key": "c003550e-(cit27)/*[position()=1]",
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      "first-page": "3242",
      "DOI": "10.1021/ja9939791",
      "volume": "122",
      "author": "Gan",
      "year": "2000",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "issue": "24",
      "key": "c003550e-(cit28)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "10845",
      "DOI": "10.1063/1.1374958",
      "volume": "114",
      "author": "Gan",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "c003550e-(cit29)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "245101",
      "DOI": "10.1103/PhysRevB.63.245101",
      "volume": "63",
      "author": "Pickard",
      "year": "2001",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "issue": "2",
      "key": "c003550e-(cit30)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "541",
      "DOI": "10.1021/ja027124r",
      "volume": "125",
      "author": "Profeta",
      "year": "2003",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "issue": "13",
      "key": "c003550e-(cit31)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4147",
      "DOI": "10.1021/jp0367225",
      "volume": "108",
      "author": "Charpentier",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "issue": "35",
      "key": "c003550e-(cit32)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "13249",
      "DOI": "10.1021/jp048462c",
      "volume": "108",
      "author": "Gervais",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "issue": "13",
      "key": "c003550e-(cit33)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6052",
      "DOI": "10.1021/jp0492570",
      "volume": "109",
      "author": "Benoit",
      "year": "2005",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "issue": "13",
      "key": "c003550e-(cit34)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1587",
      "DOI": "10.1039/B618211A",
      "volume": "9",
      "author": "Ashbrook",
      "year": "2007",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "issue": "1",
      "key": "c003550e-(cit35)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "131",
      "DOI": "10.1016/j.jmr.2007.03.018",
      "volume": "187",
      "author": "Gervais",
      "year": "2007",
      "journal-title": "J. Magn. Reson."
    },
    {
      "issue": "4\u20135",
      "key": "c003550e-(cit36)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "398",
      "DOI": "10.1016/j.crci.2007.09.011",
      "volume": "11",
      "author": "Pourpoint",
      "year": "2008",
      "journal-title": "C. R. Chim."
    },
    {
      "issue": "16",
      "key": "c003550e-(cit37)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7327",
      "DOI": "10.1021/ic800637p",
      "volume": "47",
      "author": "Vasconcelos",
      "year": "2008",
      "journal-title": "Inorg. Chem."
    },
    {
      "issue": "3",
      "key": "c003550e-(cit38)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "223",
      "DOI": "10.1016/S0022-3093(02)01420-5",
      "volume": "311",
      "author": "Zeyer",
      "year": "2002",
      "journal-title": "J. Non-Cryst. Solids"
    },
    {
      "issue": "32",
      "key": "c003550e-(cit39)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3426",
      "DOI": "10.1039/b604803j",
      "author": "Flambard",
      "year": "2006",
      "journal-title": "Chem. Commun."
    },
    {
      "key": "c003550e-(cit40)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "192",
      "DOI": "10.1006/jmre.2000.2192",
      "volume": "147",
      "author": "Iuga",
      "year": "2000",
      "journal-title": "J. Magn. Reson."
    },
    {
      "key": "c003550e-(cit41)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "116",
      "DOI": "10.1006/jmra.1996.0221",
      "volume": "A123",
      "author": "Amoureux",
      "year": "1996",
      "journal-title": "Journal of Magnetic Resonance"
    },
    {
      "issue": "5\u20136",
      "key": "c003550e-(cit42)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "497",
      "DOI": "10.1016/S0009-2614(02)00398-6",
      "volume": "356",
      "author": "Amoureux",
      "year": "2002",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "issue": "1",
      "key": "c003550e-(cit43)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "160",
      "DOI": "10.1016/S1090-7807(03)00134-4",
      "volume": "164",
      "author": "Massiot",
      "year": "2003",
      "journal-title": "J. Magn. Reson."
    },
    {
      "issue": "3b",
      "key": "c003550e-(cit44)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "B864",
      "DOI": "10.1103/PhysRev.136.B864",
      "volume": "136",
      "author": "Hohenberg",
      "year": "1964",
      "journal-title": "Phys. Rev."
    },
    {
      "issue": "4a",
      "key": "c003550e-(cit45)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "A1133",
      "DOI": "10.1103/PhysRev.140.A1133",
      "volume": "140",
      "author": "Kohn",
      "year": "1965",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "c003550e-(cit47)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3865",
      "DOI": "10.1103/PhysRevLett.77.3865",
      "volume": "77",
      "author": "Perdew",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "c003550e-(cit48)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1993",
      "DOI": "10.1103/PhysRevB.43.1993",
      "volume": "43",
      "author": "Trouillier",
      "year": "1991",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "issue": "24",
      "key": "c003550e-(cit49)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "17953",
      "DOI": "10.1103/PhysRevB.50.17953",
      "volume": "50",
      "author": "Bl\u00f6chl",
      "year": "1994",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "issue": "2",
      "key": "c003550e-(cit50)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "541",
      "DOI": "10.1021/ja027124r",
      "volume": "125",
      "author": "Profeta",
      "year": "2003",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "issue": "19",
      "key": "c003550e-(cit51)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1617",
      "DOI": "10.1080/00268970110069010",
      "volume": "99",
      "author": "Pyykk\u00f6",
      "year": "2001",
      "journal-title": "Mol. Phys."
    },
    {
      "issue": "S1",
      "key": "c003550e-(cit52)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "S174",
      "DOI": "10.1002/mrc.2132",
      "volume": "45",
      "author": "Harris",
      "year": "2007",
      "journal-title": "Magn. Reson. Chem."
    },
    {
      "key": "c003550e-(cit53)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "13115",
      "DOI": "10.1103/PhysRevB.48.13115",
      "volume": "48",
      "author": "Kresse",
      "year": "1993",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "key": "c003550e-(cit54)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "11169",
      "DOI": "10.1103/PhysRevB.54.11169",
      "volume": "54",
      "author": "Kresse",
      "year": "1996",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "issue": "23",
      "key": "c003550e-(cit56)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "16533",
      "DOI": "10.1103/PhysRevB.54.16533",
      "volume": "54",
      "author": "Perdew",
      "year": "1996",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "key": "c003550e-(cit57)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1758",
      "DOI": "10.1103/PhysRevB.59.1758",
      "volume": "59",
      "author": "Kresse",
      "year": "1999",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "issue": "1",
      "key": "c003550e-(cit58)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "102",
      "DOI": "10.1016/0009-2614(81)85562-5",
      "volume": "78",
      "author": "Choudhary",
      "year": "1981",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "issue": "10",
      "key": "c003550e-(cit59)/*[position()=1]",
      "first-page": "1533",
      "volume": "47",
      "author": "Selevich",
      "year": "2002",
      "journal-title": "Russ. J. Inorg. Chem."
    },
    {
      "issue": "2",
      "key": "c003550e-(cit60)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "359",
      "DOI": "10.1107/S0567740876003051",
      "volume": "32",
      "author": "Catti",
      "year": "1976",
      "journal-title": "Acta Crystallogr. B"
    },
    {
      "issue": "4",
      "key": "c003550e-(cit61)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "987",
      "DOI": "10.1107/S0567740876004500",
      "volume": "32",
      "author": "Bartl",
      "year": "1976",
      "journal-title": "Acta Crystallogr. B"
    },
    {
      "issue": "1",
      "key": "c003550e-(cit62)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "70",
      "DOI": "10.1002/mrc.984",
      "volume": "40",
      "author": "Massiot",
      "year": "2002",
      "journal-title": "Magn. Reson. Chem."
    },
    {
      "issue": "8",
      "key": "c003550e-(cit63)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3116",
      "DOI": "10.1063/1.476903",
      "volume": "109",
      "author": "Charpentier",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "c003550e-(cit64)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "064202",
      "DOI": "10.1103/PhysRevB.70.064202",
      "volume": "70",
      "author": "Clark",
      "year": "2004",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "issue": "9",
      "key": "c003550e-(cit65)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2502",
      "DOI": "10.1021/ja00321a002",
      "volume": "106",
      "author": "Schramm",
      "year": "1984",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "issue": "49",
      "key": "c003550e-(cit66)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "12257",
      "DOI": "10.1021/jp011289p",
      "volume": "105",
      "author": "Clark",
      "year": "2001",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "issue": "18",
      "key": "c003550e-(cit67)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7917",
      "DOI": "10.1021/jp900297r",
      "volume": "113",
      "author": "Charpentier",
      "year": "2009",
      "journal-title": "J. Phys. Chem. C"
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