DOI: 10.1021/ja501361v. Quantitatively Probing the Al Distribution in Zeolites

Quantitatively Probing the Al Distribution in Zeolites

10.1021/ja501361v

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Vjunov, A., Fulton, J. L., Huthwelker, T., Pin, S., Mei, D., Schenter, G. K., Govind, N., Camaioni, D. M., Hu, J. Z., & Lercher, J. A. (2014). Quantitatively Probing the Al Distribution in Zeolites. Journal of the American Chemical Society, 136(23), 8296â8306.

Authors 10

Aleksei Vjunov (first)
John L. Fulton (additional)
Thomas Huthwelker (additional)
Sonia Pin (additional)
Donghai Mei (additional)
Gregory K. Schenter (additional)
Niranjan Govind (additional)
Donald M. Camaioni (additional)
Jian Zhi Hu (additional)
Johannes A. Lercher (additional)

References 75 Referenced 222

10.1016/S0167-2991(06)81408-4 / Stud. Surf. Sci. Catal. by Feast S. (1996)
10.1007/3829_2007_017 / Mol. Sieves Sci. Technol. by Lercher J. A. (2008)
10.1021/ar00027a006 / Acc. Chem. Res. by Davis M. E. (1993)
10.1021/ar700181t / Acc. Chem. Res. by Bhan A. (2008)
10.1021/cr010368u / Chem. Rev. by De Vos D. E. (2002)
10.1021/ja808292c / J. Am. Chem. Soc. by Gounder R. (2009)
10.1023/A:1019188105794 / Top. Catal. by Beyerlein R. A. (1997)
10.1021/jp981670i / J. Phys. Chem. B by Sierka M. (1998)
10.1016/S0009-2614(99)00565-5 / Chem. Phys. Lett. by Sauer J. (1999)
10.1021/jp903788n / J. Phys. Chem. C by Katada N. (2009)
10.1021/ja00268a002 / J. Am. Chem. Soc. by Lippmaa E. (1986)
10.1021/ja002689d / J. Am. Chem. Soc. by van Bokhoven J. A. (2000)
10.1016/j.jcat.2005.11.030 / J. Catal. by Kannelopoulos J. (2006)
10.1080/01614940.2012.632662 / Catal. Rev. Sci. Eng. by Dedecek J. (2012)
10.1021/jp961574m / J. Phys. Chem. by Kraus H. (1996)
10.1039/B807755J / Phys. Chem. Chem. Phys. by Sklenak S. (2009)
10.1002/anie.201004007 / Angew. Chem., Int. Ed. by Yu Z. (2010)
10.1021/jp200310b / J. Phys. Chem. C by Dedecek J. (2011)
10.1002/anie.200702628 / Angew. Chem., Int. Ed. by Sklenak S. (2007)
10.1039/B807755J / Phys. Chem. Chem. Phys. by Sklenak S. (2009)
10.1021/jp9042232 / J. Phys. Chem. C by Dedecek J. (2009)
10.1038/nmat2220 / Nat. Mater. by van Bokhoven J. A. (2008)
10.1016/S0021-9517(02)93777-2 / J. Catal. by van Bokhoven J. A. (2002)
10.1103/PhysRevB.85.224108 / Phys. Rev. B by Manuel D. (2012)
10.1021/jp058244z / J. Phys. Chem. B by Drake I. J. (2006)
10.1021/ja031755j / J. Am. Chem. Soc. by van Bokhoven J. A. (2004)
10.1016/j.nimb.2005.12.007 / Nucl. Instrum. Methods Phys. Res. B by Flank A.-M. (2006)
10.1021/jp960160q / J. Phys. Chem. by Palmer B. J. (1996)
10.1021/jp4032749 / J. Phys. Chem. C by Amit Y. (2013)
10.1126/science.1056186 / Science by Matsumoto Y. (2001)
10.1006/jcat.1999.2601 / J. Catal. by Chica A. (1999)
10.1006/jcat.2000.2861 / J. Catal. by Rodriguez I. (2000)
10.1039/B916822B / Chem. Commun. by Zhao C. (2010)
10.1016/j.jcat.2012.01.005 / J. Catal. by Zhao C. (2012)
10.1021/cm8002244 / Chem. Mater. by Corma A. (2008)
10.1098/rspa.1988.0131 / Proc. R. Soc. London A by Newsam J. M. (1988)
10.1038/332249a0 / Nature by Treacy M. M. J. (1988)
10.1524/zkri.2012.1564 / Z. Kristallogr. by Willhammar T. (2013)
10.1080/08927020802191958 / Mol. Simul. by Andersen A. (2008)
10.1021/ja043948s / J. Am. Chem. Soc. by Wright P. A. (2005)
10.1016/S0144-2449(88)80079-4 / Zeolites by Fyfe C. A. (1988)
10.1039/cc9960002365 / Chem. Commun. by Cambior M. A. (1996)
10.1016/j.micromeso.2004.07.040 / Microporous Mesoporous Mater. by Martinez-Iñesta M. M. (2005)
10.1107/S0909049505012719 / J. Synchrotron Radiat. by Ravel B. (2005)
10.1107/S0909049500016964 / J. Synchrotron Radiat. by Newville M. (2001)
10.1021/ja1014458 / J. Am. Chem. Soc. by Fulton J. L. (2010)
10.1039/b508358c / Phys. Chem. Chem. Phys. by Jiao J. (2005)
aThe CP2K Developers Group. CP2K Open Source Molecular Dynamics Program;http://www.CP2K.org/; accessed May 2014.
10.1016/j.cpc.2004.12.014 / Comput. Phys. Commun. by VandeVondele J. (2005)
International Zeolite Association. Framework Structure Database;http://izasc-mirror.la.asu.edu/fmi/xsl/IZA-SC/ft.xsl, accessed May 2014.
10.1021/jp8068333 / J. Phys. Chem. C by Dedecek J. (2009)
10.1103/PhysRevB.54.1703 / Phys. Rev. B by Goedecker S. (1996)
10.1063/1.2770708 / J. Chem. Phys. by VandeVondele J. (2007)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1016/S0144-2449(88)80219-7 / Zeolites by Higgins J. B. (1988)
10.1021/jp013346k / J. Phys. Chem. B by VandeVondele J. (2002)
10.1021/jz3008497 / J. Phys. Chem. Lett. by Fulton J. L. (2012)
10.1016/j.cpc.2010.04.018 / Comput. Phys. Commun. by Valiev M. (2010)
10.1021/ct3005613 / J. Chem. Theory Comput. by Lopata K. (2012)
10.1007/s00214-012-1124-z / Theoret. Chem. Acc. by Noro T. (2012)
10.1021/ci600510j / J. Chem. Inf. Model. by Schuchardt K. L. (2007)
10.1063/1.464304 / J. Chem. Phys. by Becke A. D. (1993)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
10.1063/1.438980 / J. Chem. Phys. by McLean A. D. (1980)
10.1002/1521-3773(20020201)41:3<469::AID-ANIE469>3.0.CO;2-K / Angew. Chem., Int. Ed. by Han O. H. (2002)
10.1107/S0567739482001478 / Acta Crystallogr. A by Lewis J. (1982)
10.1006/jssc.1995.1111 / J. Solid State Chem. by Kaduk J. A. (1995)
10.1021/jp7103616 / J. Phys. Chem. C by Huang J. (2008)
10.1016/j.ssnmr.2011.03.007 / Solid State Nucl. Magn. Res. by Jiang Y. (2011)
10.1021/ja0292905 / J. Am. Chem. Soc. by van Bokhoven J. A. (2003)
10.1021/jp108338g / J. Phys. Chem. C by Maier S. M. (2011)
10.1021/jp9801929 / J. Phys. Chem. B by Deng F. (1998)
10.1016/0927-6513(94)00061-Y / Microporous Mater. by Hunger M. (1995)
10.1021/jp401020j / J. Phys. Chem. A by Van Kuiken B. E. (2013)
10.1063/1.4766356 / J. Chem. Phys. by Zhang Y. (2012)

Dates

Type	When
Created	11 years, 3 months ago (May 9, 2014, 11:08 a.m.)
Deposited	2 years, 4 months ago (April 25, 2023, 9:31 p.m.)
Indexed	6 days, 11 hours ago (Aug. 30, 2025, 12:54 p.m.)
Issued	11 years, 3 months ago (June 2, 2014)
Published	11 years, 3 months ago (June 2, 2014)
Published Online	11 years, 3 months ago (June 2, 2014)
Published Print	11 years, 2 months ago (June 11, 2014)

Funders 1

Office of Basic Energy Sciences 10.13039/100006151 Basic Energy Sciences
Region: Americas
gov (National government)
Labels6
1. Office of Basic Energy Sciences
2. DOE Office of Basic Energy Sciences
3. US Department of Energy's Basic Energy Sciences
4. DOE Basic Energy Sciences
5. Department of Energy Basic Energy Sciences Program
6. BES
Awards1
1. NA

BibTeX

@article{Vjunov_2014, title={Quantitatively Probing the Al Distribution in Zeolites}, volume={136}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja501361v}, DOI={10.1021/ja501361v}, number={23}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Vjunov, Aleksei and Fulton, John L. and Huthwelker, Thomas and Pin, Sonia and Mei, Donghai and Schenter, Gregory K. and Govind, Niranjan and Camaioni, Donald M. and Hu, Jian Zhi and Lercher, Johannes A.}, year={2014}, month=jun, pages={8296–8306} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        30
      ]
    ],
    "date-time": "2025-08-30T16:54:54Z",
    "timestamp": 1756572894377,
    "version": "3.37.3"
  },
  "reference-count": 75,
  "publisher": "American Chemical Society (ACS)",
  "issue": "23",
  "funder": [
    {
      "DOI": "10.13039/100006151",
      "name": "Office of Basic Energy Sciences",
      "doi-asserted-by": "publisher",
      "award": [
        "NA"
      ],
      "id": [
        {
          "id": "10.13039/100006151",
          "id-type": "DOI",
          "asserted-by": "publisher"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2014,
        6,
        11
      ]
    ]
  },
  "DOI": "10.1021/ja501361v",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2014,
        5,
        9
      ]
    ],
    "date-time": "2014-05-09T15:08:56Z",
    "timestamp": 1399648136000
  },
  "page": "8296-8306",
  "source": "Crossref",
  "is-referenced-by-count": 222,
  "title": "Quantitatively Probing the Al Distribution in Zeolites",
  "prefix": "10.1021",
  "volume": "136",
  "author": [
    {
      "given": "Aleksei",
      "family": "Vjunov",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "John L.",
      "family": "Fulton",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Thomas",
      "family": "Huthwelker",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Swiss\rLight Source, Laboratory for Catalysis and Sustainable Chemistry (LSK), Paul Scherrer Institut (PSI), 5232 Villigen, Switzerland"
        }
      ]
    },
    {
      "given": "Sonia",
      "family": "Pin",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Swiss\rLight Source, Laboratory for Catalysis and Sustainable Chemistry (LSK), Paul Scherrer Institut (PSI), 5232 Villigen, Switzerland"
        }
      ]
    },
    {
      "given": "Donghai",
      "family": "Mei",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Gregory K.",
      "family": "Schenter",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Niranjan",
      "family": "Govind",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Donald M.",
      "family": "Camaioni",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Jian Zhi",
      "family": "Hu",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Johannes A.",
      "family": "Lercher",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department\rof Chemistry and Catalysis Research Institute, TU M\u00fcnchen, Lichtenbergstrasse\r4, 85748 Garching Germany"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2014,
        6,
        2
      ]
    ]
  },
  "reference": [
    {
      "key": "ref1/cit1",
      "doi-asserted-by": "crossref",
      "first-page": "363",
      "DOI": "10.1016/S0167-2991(06)81408-4",
      "volume": "102",
      "author": "Feast S.",
      "year": "1996",
      "journal-title": "Stud. Surf. Sci. Catal."
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "crossref",
      "first-page": "153",
      "DOI": "10.1007/3829_2007_017",
      "volume": "6",
      "author": "Lercher J. A.",
      "year": "2008",
      "journal-title": "Mol. Sieves Sci. Technol."
    },
    {
      "key": "ref3/cit3",
      "doi-asserted-by": "crossref",
      "first-page": "111",
      "DOI": "10.1021/ar00027a006",
      "volume": "26",
      "author": "Davis M. E.",
      "year": "1993",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref4/cit4",
      "doi-asserted-by": "crossref",
      "first-page": "559",
      "DOI": "10.1021/ar700181t",
      "volume": "41",
      "author": "Bhan A.",
      "year": "2008",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "crossref",
      "first-page": "3615",
      "DOI": "10.1021/cr010368u",
      "volume": "102",
      "author": "De Vos D. E.",
      "year": "2002",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "1958",
      "DOI": "10.1021/ja808292c",
      "volume": "131",
      "author": "Gounder R.",
      "year": "2009",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "27",
      "DOI": "10.1023/A:1019188105794",
      "volume": "4",
      "author": "Beyerlein R. A.",
      "year": "1997",
      "journal-title": "Top. Catal."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "6397",
      "DOI": "10.1021/jp981670i",
      "volume": "102",
      "author": "Sierka M.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "147",
      "DOI": "10.1016/S0009-2614(99)00565-5",
      "volume": "308",
      "author": "Sauer J.",
      "year": "1999",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "19208",
      "DOI": "10.1021/jp903788n",
      "volume": "113",
      "author": "Katada N.",
      "year": "2009",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "1730",
      "DOI": "10.1021/ja00268a002",
      "volume": "108",
      "author": "Lippmaa E.",
      "year": "1986",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "12842",
      "DOI": "10.1021/ja002689d",
      "volume": "122",
      "author": "van Bokhoven J. A.",
      "year": "2000",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "416",
      "DOI": "10.1016/j.jcat.2005.11.030",
      "volume": "237",
      "author": "Kannelopoulos J.",
      "year": "2006",
      "journal-title": "J. Catal."
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "135",
      "DOI": "10.1080/01614940.2012.632662",
      "volume": "54",
      "author": "Dedecek J.",
      "year": "2012",
      "journal-title": "Catal. Rev. Sci. Eng."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "16336",
      "DOI": "10.1021/jp961574m",
      "volume": "100",
      "author": "Kraus H.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "1237",
      "DOI": "10.1039/B807755J",
      "volume": "11",
      "author": "Sklenak S.",
      "year": "2009",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "8657",
      "DOI": "10.1002/anie.201004007",
      "volume": "49",
      "author": "Yu Z.",
      "year": "2010",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "11056",
      "DOI": "10.1021/jp200310b",
      "volume": "115",
      "author": "Dedecek J.",
      "year": "2011",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "7286",
      "DOI": "10.1002/anie.200702628",
      "volume": "46",
      "author": "Sklenak S.",
      "year": "2007",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "1237",
      "DOI": "10.1039/B807755J",
      "volume": "11",
      "author": "Sklenak S.",
      "year": "2009",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "14454",
      "DOI": "10.1021/jp9042232",
      "volume": "113",
      "author": "Dedecek J.",
      "year": "2009",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "551",
      "DOI": "10.1038/nmat2220",
      "volume": "7",
      "author": "van Bokhoven J. A.",
      "year": "2008",
      "journal-title": "Nat. Mater."
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "540",
      "DOI": "10.1016/S0021-9517(02)93777-2",
      "volume": "211",
      "author": "van Bokhoven J. A.",
      "year": "2002",
      "journal-title": "J. Catal."
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "224108",
      "DOI": "10.1103/PhysRevB.85.224108",
      "volume": "85",
      "author": "Manuel D.",
      "year": "2012",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "11665",
      "DOI": "10.1021/jp058244z",
      "volume": "110",
      "author": "Drake I. J.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "4506",
      "DOI": "10.1021/ja031755j",
      "volume": "126",
      "author": "van Bokhoven J. A.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "269",
      "DOI": "10.1016/j.nimb.2005.12.007",
      "volume": "246",
      "author": "Flank A.-M.",
      "year": "2006",
      "journal-title": "Nucl. Instrum. Methods Phys. Res. B"
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "13393",
      "DOI": "10.1021/jp960160q",
      "volume": "100",
      "author": "Palmer B. J.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "13688",
      "DOI": "10.1021/jp4032749",
      "volume": "117",
      "author": "Amit Y.",
      "year": "2013",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "854",
      "DOI": "10.1126/science.1056186",
      "volume": "291",
      "author": "Matsumoto Y.",
      "year": "2001",
      "journal-title": "Science"
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "167",
      "DOI": "10.1006/jcat.1999.2601",
      "volume": "187",
      "author": "Chica A.",
      "year": "1999",
      "journal-title": "J. Catal."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "441",
      "DOI": "10.1006/jcat.2000.2861",
      "volume": "192",
      "author": "Rodriguez I.",
      "year": "2000",
      "journal-title": "J. Catal."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "412",
      "DOI": "10.1039/B916822B",
      "volume": "46",
      "author": "Zhao C.",
      "year": "2010",
      "journal-title": "Chem. Commun."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "92",
      "DOI": "10.1016/j.jcat.2012.01.005",
      "volume": "288",
      "author": "Zhao C.",
      "year": "2012",
      "journal-title": "J. Catal."
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "3218",
      "DOI": "10.1021/cm8002244",
      "volume": "20",
      "author": "Corma A.",
      "year": "2008",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "ref36/cit36a",
      "doi-asserted-by": "crossref",
      "first-page": "375",
      "DOI": "10.1098/rspa.1988.0131",
      "volume": "420",
      "author": "Newsam J. M.",
      "year": "1988",
      "journal-title": "Proc. R. Soc. London A"
    },
    {
      "key": "ref36/cit36b",
      "doi-asserted-by": "crossref",
      "first-page": "249",
      "DOI": "10.1038/332249a0",
      "volume": "332",
      "author": "Treacy M. M. J.",
      "year": "1988",
      "journal-title": "Nature"
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "11",
      "DOI": "10.1524/zkri.2012.1564",
      "volume": "228",
      "author": "Willhammar T.",
      "year": "2013",
      "journal-title": "Z. Kristallogr."
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "1025",
      "DOI": "10.1080/08927020802191958",
      "volume": "34",
      "author": "Andersen A.",
      "year": "2008",
      "journal-title": "Mol. Simul."
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "494",
      "DOI": "10.1021/ja043948s",
      "volume": "127",
      "author": "Wright P. A.",
      "year": "2005",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref40/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "132",
      "DOI": "10.1016/S0144-2449(88)80079-4",
      "volume": "8",
      "author": "Fyfe C. A.",
      "year": "1988",
      "journal-title": "Zeolites"
    },
    {
      "key": "ref41/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "2365",
      "DOI": "10.1039/cc9960002365",
      "author": "Cambior M. A.",
      "year": "1996",
      "journal-title": "Chem. Commun."
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "crossref",
      "first-page": "55",
      "DOI": "10.1016/j.micromeso.2004.07.040",
      "volume": "77",
      "author": "Martinez-I\u00f1esta M. M.",
      "year": "2005",
      "journal-title": "Microporous Mesoporous Mater."
    },
    {
      "key": "ref43/cit43a",
      "doi-asserted-by": "crossref",
      "first-page": "537",
      "DOI": "10.1107/S0909049505012719",
      "volume": "12",
      "author": "Ravel B.",
      "year": "2005",
      "journal-title": "J. Synchrotron Radiat."
    },
    {
      "key": "ref43/cit43b",
      "doi-asserted-by": "crossref",
      "first-page": "322",
      "DOI": "10.1107/S0909049500016964",
      "volume": "8",
      "author": "Newville M.",
      "year": "2001",
      "journal-title": "J. Synchrotron Radiat."
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "12597",
      "DOI": "10.1021/ja1014458",
      "volume": "132",
      "author": "Fulton J. L.",
      "year": "2010",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "3221",
      "DOI": "10.1039/b508358c",
      "volume": "7",
      "author": "Jiao J.",
      "year": "2005",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref46/cit46a",
      "unstructured": "aThe CP2K Developers Group. CP2K Open Source Molecular Dynamics Program;http://www.CP2K.org/; accessed May 2014."
    },
    {
      "key": "ref46/cit46b",
      "doi-asserted-by": "crossref",
      "first-page": "103",
      "DOI": "10.1016/j.cpc.2004.12.014",
      "volume": "167",
      "author": "VandeVondele J.",
      "year": "2005",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "key": "ref47/cit47",
      "unstructured": "International Zeolite Association. Framework Structure Database;http://izasc-mirror.la.asu.edu/fmi/xsl/IZA-SC/ft.xsl, accessed May 2014."
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "1447",
      "DOI": "10.1021/jp8068333",
      "volume": "113",
      "author": "Dedecek J.",
      "year": "2009",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "1703",
      "DOI": "10.1103/PhysRevB.54.1703",
      "volume": "54",
      "author": "Goedecker S.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "114105",
      "DOI": "10.1063/1.2770708",
      "volume": "127",
      "author": "VandeVondele J.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref51/cit51",
      "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": "ref52/cit52",
      "doi-asserted-by": "crossref",
      "first-page": "446",
      "DOI": "10.1016/S0144-2449(88)80219-7",
      "volume": "8",
      "author": "Higgins J. B.",
      "year": "1988",
      "journal-title": "Zeolites"
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "203",
      "DOI": "10.1021/jp013346k",
      "volume": "106",
      "author": "VandeVondele J.",
      "year": "2002",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "2588",
      "DOI": "10.1021/jz3008497",
      "volume": "3",
      "author": "Fulton J. L.",
      "year": "2012",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "ref55/cit55",
      "doi-asserted-by": "crossref",
      "first-page": "1477",
      "DOI": "10.1016/j.cpc.2010.04.018",
      "volume": "181",
      "author": "Valiev M.",
      "year": "2010",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "key": "ref56/cit56",
      "doi-asserted-by": "crossref",
      "first-page": "3284",
      "DOI": "10.1021/ct3005613",
      "volume": "8",
      "author": "Lopata K.",
      "year": "2012",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref57/ref57_1",
      "doi-asserted-by": "crossref",
      "first-page": "1124",
      "DOI": "10.1007/s00214-012-1124-z",
      "volume": "131",
      "author": "Noro T.",
      "year": "2012",
      "journal-title": "Theoret. Chem. Acc."
    },
    {
      "issue": "3",
      "key": "ref58/ref58_1",
      "doi-asserted-by": "crossref",
      "first-page": "1045",
      "DOI": "10.1021/ci600510j",
      "volume": "47",
      "author": "Schuchardt K. L.",
      "year": "2007",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "key": "ref59/cit59",
      "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": "ref60/cit60",
      "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": "ref61/cit61",
      "doi-asserted-by": "crossref",
      "first-page": "5639",
      "DOI": "10.1063/1.438980",
      "volume": "72",
      "author": "McLean A. D.",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref62/cit62",
      "doi-asserted-by": "crossref",
      "first-page": "469",
      "DOI": "10.1002/1521-3773(20020201)41:3<469::AID-ANIE469>3.0.CO;2-K",
      "volume": "41",
      "author": "Han O. H.",
      "year": "2002",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ref63/cit63",
      "doi-asserted-by": "crossref",
      "first-page": "733",
      "DOI": "10.1107/S0567739482001478",
      "volume": "38",
      "author": "Lewis J.",
      "year": "1982",
      "journal-title": "Acta Crystallogr. A"
    },
    {
      "key": "ref64/cit64",
      "doi-asserted-by": "crossref",
      "first-page": "126",
      "DOI": "10.1006/jssc.1995.1111",
      "volume": "115",
      "author": "Kaduk J. A.",
      "year": "1995",
      "journal-title": "J. Solid State Chem."
    },
    {
      "key": "ref65/cit65",
      "doi-asserted-by": "crossref",
      "first-page": "3811",
      "DOI": "10.1021/jp7103616",
      "volume": "112",
      "author": "Huang J.",
      "year": "2008",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref66/cit66",
      "doi-asserted-by": "crossref",
      "first-page": "116",
      "DOI": "10.1016/j.ssnmr.2011.03.007",
      "volume": "39",
      "author": "Jiang Y.",
      "year": "2011",
      "journal-title": "Solid State Nucl. Magn. Res."
    },
    {
      "key": "ref67/cit67",
      "doi-asserted-by": "crossref",
      "first-page": "7435",
      "DOI": "10.1021/ja0292905",
      "volume": "125",
      "author": "van Bokhoven J. A.",
      "year": "2003",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref68/cit68",
      "doi-asserted-by": "crossref",
      "first-page": "8005",
      "DOI": "10.1021/jp108338g",
      "volume": "115",
      "author": "Maier S. M.",
      "year": "2011",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref69/cit69",
      "doi-asserted-by": "crossref",
      "first-page": "5252",
      "DOI": "10.1021/jp9801929",
      "volume": "102",
      "author": "Deng F.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref70/cit70",
      "doi-asserted-by": "crossref",
      "first-page": "497",
      "DOI": "10.1016/0927-6513(94)00061-Y",
      "volume": "3",
      "author": "Hunger M.",
      "year": "1995",
      "journal-title": "Microporous Mater."
    },
    {
      "key": "ref71/cit71",
      "doi-asserted-by": "crossref",
      "first-page": "4444",
      "DOI": "10.1021/jp401020j",
      "volume": "117",
      "author": "Van Kuiken B. E.",
      "year": "2013",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref72/cit72",
      "doi-asserted-by": "crossref",
      "first-page": "194306",
      "DOI": "10.1063/1.4766356",
      "volume": "137",
      "author": "Zhang Y.",
      "year": "2012",
      "journal-title": "J. Chem. Phys."
    }
  ],
  "container-title": "Journal of the American Chemical Society",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ja501361v",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        4,
        26
      ]
    ],
    "date-time": "2023-04-26T01:31:32Z",
    "timestamp": 1682472692000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ja501361v"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2014,
        6,
        2
      ]
    ]
  },
  "references-count": 75,
  "journal-issue": {
    "issue": "23",
    "published-print": {
      "date-parts": [
        [
          2014,
          6,
          11
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ja501361v"
  ],
  "URL": "http://dx.doi.org/10.1021/ja501361v",
  "relation": {},
  "ISSN": [
    "0002-7863",
    "1520-5126"
  ],
  "subject": [],
  "container-title-short": "J. Am. Chem. Soc.",
  "published": {
    "date-parts": [
      [
        2014,
        6,
        2
      ]
    ]
  }
}