DOI: 10.1021/jp012377c. An Experimental and Density Functional Theory Study of the Interactions of CH<sub>4</sub> with H−ZSM-5

An Experimental and Density Functional Theory Study of the Interactions of CH4 with H−ZSM-5

10.1021/jp012377c

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Khaliullin, R. Z., Bell, A. T., & Kazansky, V. B. (2001). An Experimental and Density Functional Theory Study of the Interactions of CH4 with HâZSM-5. The Journal of Physical Chemistry A, 105(45), 10454â10461.

Authors 3

Rustam Z. Khaliullin (first)
Alexis T. Bell (additional)
Vladimir B. Kazansky (additional)

References 40 Referenced 39

Martines, J. A.; Souverijns, W.; van Rhijn, W.; Jacobs, P. A. InHandbookof Heterogeneous Catalysis; Ertl, G., Knözinger, H., Weitkamp, J., Eds.; Weinheim: VCH: 1997; Vol. 1, p 324.
10.1021/cr00035a006 / Chem. Rev. by Corma A. (1995)
10.1021/cr00035a007 / J. Chem. Rev. by Farneth W. E. (1995)
10.1039/a802189i / J. Chem. Soc., Faraday Trans. by Knözinger H. (1998)
10.1021/cr00035a008 / J. Chem. Rev. by van Santen R. A. (1995)
10.1021/cr00035a005 / Chem. Rev. by Hattori H. (1995)
{'key': 'jp012377cb00007/jp012377cb00007_1', 'first-page': '384', 'volume': '300', 'author': 'Zhlobenko V. L.', 'year': '1988', 'journal-title': 'Dokl. Akad. Nauk SSSR'} / Dokl. Akad. Nauk SSSR by Zhlobenko V. L. (1988)
10.1021/j100614a019 / J. Phys. Chem. by Cohen De Lara E. (1974)
10.1039/f19837902271 / J. Chem. Soc., Faraday Trans. 1 by Cohen De Lara E. (1983)
10.1080/00268979200101851 / Mol. Phys. by Sousson-Jacob J. (1992)
10.1080/00268979200101861 / Mol. Phys. by Cohen de Lara E. (1992)
10.1063/1.449266 / J. Chem. Phys. by Cohen De Lara E. (1985)
10.1246/cl.1987.1457 / Chem. Lett. by Yamazaki T. (1987)
10.1021/la00080a031 / Langmuir. by Yamazaki T. (1988)
10.1039/FT9938901393 / J. Chem. Soc., Faraday Trans. by Khodakov A. (1993)
10.1016/0009-2614(95)00892-8 / Chem. Phys. Lett. by Huber S. (1995)
10.1006/jcat.1996.0167 / J. Catal. by Chen L. (1996)
10.1021/la980017j / Langmuir by Ferrari A. M. (1998)
10.1021/ja00111a014 / J. Am. Chem. Soc. by Kramer G. J. (1995)
{'key': 'jp012377cb00020/jp012377cb00020_1', 'volume-title': 'Proc. 12th Int. Zeolite Conf.', 'author': 'Curtiss L. A.', 'year': '1999'} / Proc. 12th Int. Zeolite Conf. by Curtiss L. A. (1999)
10.1021/jp0008445 / J. Phys. Chem. B by Vollmer J. M. (2000)
10.1107/S0108768187098173 / Acta Crystallogr. by van Koningsveld H. (1987)
10.1021/jp9721107 / J. Phys. Chem. B by Ricchiardi G. (1997)
10.1021/jp971779a / J. Phys. Chem. B by Eichler U. (1997)
10.1039/a900214f / Phys. Chem. Chem. Phys. by Nachtigallová D. (1999)
{'key': 'jp012377cb00026/jp012377cb00026_1', 'volume-title': 'Density-Functional Theory of Atoms and Molecules', 'author': 'Parr R. G.', 'year': '1989'} / Density-Functional Theory of Atoms and Molecules by Parr R. G. (1989)
10.1063/1.472283 / J. Chem. Phys. by Ferrari A. M. (1996)
10.1016/S0166-1280(97)00249-2 / J. Mol. Struct. (THEOCHEM) by Civalleri B. (1997)
Jaguar 4.0; Schrodinger, Inc. Portland, Oregon, 2000.
{'key': 'jp012377cb00030/jp012377cb00030_1', 'volume-title': 'Gaussian 98, revision A.3', 'author': 'Frisch M. J.', 'year': '1998'} / Gaussian 98, revision A.3 by Frisch M. J. (1998)
10.1002/qua.560560824 / Int. J. Quantum Chem. by Pisani C. (1995)
10.1021/jp990571h / J. Phys. Chem. B by Vollmer J. M. (1999)
10.1021/jp9802580 / J. Phys. Chem. B by Stefanovich E. V. (1998)
10.1021/j100127a018 / J. Phys. Chem. by Cook S. J. (1993)
10.1021/j100136a009 / J. Phys. Chem. by White J. C. (1993)
10.1021/j100005a022 / J. Phys. Chem. by Kyrlidis A. (1995)
Limtrakul, J.; Khongpracha, P.; Jungsuttiwong S.; Troung T. N.J. Mol.Catal.: Chem.2000,153, 155. (10.1016/S1381-1169(99)00339-8)
Wright, J. R.Jaguar User's Guide, version 3.5; Schrodinger, Inc. Portland, Oregon, July 1998; p 47.
{'key': 'jp012377cb00040/jp012377cb00040_1', 'first-page': '69', 'volume': '238', 'author': 'Sheppard N.', 'year': '1956', 'journal-title': 'Proc. R. Soc. Ser. A'} / Proc. R. Soc. Ser. A by Sheppard N. (1956)
10.1080/00268979909483039 / Mol. Phys. by Cohen De Lara E. (1999)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 12:39 a.m.)
Deposited	3 years, 10 months ago (Oct. 13, 2021, 2:23 a.m.)
Indexed	2 months ago (June 30, 2025, 5:23 a.m.)
Issued	23 years, 10 months ago (Oct. 19, 2001)
Published	23 years, 10 months ago (Oct. 19, 2001)
Published Online	23 years, 10 months ago (Oct. 19, 2001)
Published Print	23 years, 10 months ago (Nov. 1, 2001)

Funders 0

None

BibTeX

@article{Khaliullin_2001, title={An Experimental and Density Functional Theory Study of the Interactions of CH4 with H−ZSM-5}, volume={105}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp012377c}, DOI={10.1021/jp012377c}, number={45}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Khaliullin, Rustam Z. and Bell, Alexis T. and Kazansky, Vladimir B.}, year={2001}, month=oct, pages={10454–10461} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        30
      ]
    ],
    "date-time": "2025-06-30T09:23:38Z",
    "timestamp": 1751275418241
  },
  "reference-count": 40,
  "publisher": "American Chemical Society (ACS)",
  "issue": "45",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2001,
        11,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp012377c",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T04:39:27Z",
    "timestamp": 1027658367000
  },
  "page": "10454-10461",
  "source": "Crossref",
  "is-referenced-by-count": 39,
  "title": "An Experimental and Density Functional Theory Study of the Interactions of CH<sub>4</sub> with H\u2212ZSM-5",
  "prefix": "10.1021",
  "volume": "105",
  "author": [
    {
      "given": "Rustam Z.",
      "family": "Khaliullin",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Chemical Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720, and Department of Chemical Engineering, University of California, Berkeley, California 94720-1462"
        }
      ]
    },
    {
      "given": "Alexis T.",
      "family": "Bell",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Chemical Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720, and Department of Chemical Engineering, University of California, Berkeley, California 94720-1462"
        }
      ]
    },
    {
      "given": "Vladimir B.",
      "family": "Kazansky",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninsky Prospekt, 47, 117913 Moscow, Russia"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2001,
        10,
        19
      ]
    ]
  },
  "reference": [
    {
      "key": "jp012377cb00001/jp012377cb00001_1",
      "unstructured": "Martines, J. A.; Souverijns, W.; van Rhijn, W.; Jacobs, P. A. InHandbookof Heterogeneous Catalysis; Ertl, G., Kn\u00f6zinger, H., Weitkamp, J., Eds.; Weinheim:\u2009 VCH:\u2009 1997; Vol. 1, p 324."
    },
    {
      "key": "jp012377cb00002/jp012377cb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "559",
      "DOI": "10.1021/cr00035a006",
      "volume": "95",
      "author": "Corma A.",
      "year": "1995",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp012377cb00003/jp012377cb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "615",
      "DOI": "10.1021/cr00035a007",
      "volume": "95",
      "author": "Farneth W. E.",
      "year": "1995",
      "journal-title": "J. Chem. Rev."
    },
    {
      "key": "jp012377cb00004/jp012377cb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "2047",
      "DOI": "10.1039/a802189i",
      "volume": "94",
      "author": "Kn\u00f6zinger H.",
      "year": "1998",
      "journal-title": "J. Chem. Soc., Faraday Trans."
    },
    {
      "key": "jp012377cb00005/jp012377cb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "637",
      "DOI": "10.1021/cr00035a008",
      "volume": "95",
      "author": "van Santen R. A.",
      "year": "1995",
      "journal-title": "J. Chem. Rev."
    },
    {
      "key": "jp012377cb00006/jp012377cb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "537",
      "DOI": "10.1021/cr00035a005",
      "volume": "95",
      "author": "Hattori H.",
      "year": "1995",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp012377cb00007/jp012377cb00007_1",
      "first-page": "384",
      "volume": "300",
      "author": "Zhlobenko V. L.",
      "year": "1988",
      "journal-title": "Dokl. Akad. Nauk SSSR"
    },
    {
      "key": "jp012377cb00008/jp012377cb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "2180",
      "DOI": "10.1021/j100614a019",
      "volume": "78",
      "author": "Cohen De Lara E.",
      "year": "1974",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp012377cb00009/jp012377cb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "2271",
      "DOI": "10.1039/f19837902271",
      "volume": "79",
      "author": "Cohen De Lara E.",
      "year": "1983",
      "journal-title": "J. Chem. Soc., Faraday Trans. 1"
    },
    {
      "key": "jp012377cb00010/jp012377cb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "1037",
      "DOI": "10.1080/00268979200101851",
      "volume": "76",
      "author": "Sousson-Jacob J.",
      "year": "1992",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "jp012377cb00011/jp012377cb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "1049",
      "DOI": "10.1080/00268979200101861",
      "volume": "76",
      "author": "Cohen de Lara E.",
      "year": "1992",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "jp012377cb00012/jp012377cb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "2646",
      "DOI": "10.1063/1.449266",
      "volume": "83",
      "author": "Cohen De Lara E.",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp012377cb00013/jp012377cb00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "1457",
      "DOI": "10.1246/cl.1987.1457",
      "volume": "7",
      "author": "Yamazaki T.",
      "year": "1987",
      "journal-title": "Chem. Lett."
    },
    {
      "key": "jp012377cb00014/jp012377cb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "433",
      "DOI": "10.1021/la00080a031",
      "volume": "4",
      "author": "Yamazaki T.",
      "year": "1988",
      "journal-title": "Langmuir."
    },
    {
      "key": "jp012377cb00015/jp012377cb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "1393",
      "DOI": "10.1039/FT9938901393",
      "volume": "89",
      "author": "Khodakov A.",
      "year": "1993",
      "journal-title": "J. Chem. Soc., Faraday Trans."
    },
    {
      "key": "jp012377cb00016/jp012377cb00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "111",
      "DOI": "10.1016/0009-2614(95)00892-8",
      "volume": "244",
      "author": "Huber S.",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp012377cb00017/jp012377cb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "107",
      "DOI": "10.1006/jcat.1996.0167",
      "volume": "161",
      "author": "Chen L.",
      "year": "1996",
      "journal-title": "J. Catal."
    },
    {
      "key": "jp012377cb00018/jp012377cb00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "5559",
      "DOI": "10.1021/la980017j",
      "volume": "14",
      "author": "Ferrari A. M.",
      "year": "1998",
      "journal-title": "Langmuir"
    },
    {
      "key": "jp012377cb00019/jp012377cb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "1766",
      "DOI": "10.1021/ja00111a014",
      "volume": "117",
      "author": "Kramer G. J.",
      "year": "1995",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp012377cb00020/jp012377cb00020_1",
      "volume-title": "Proc. 12th Int. Zeolite Conf.",
      "author": "Curtiss L. A.",
      "year": "1999"
    },
    {
      "key": "jp012377cb00021/jp012377cb00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "6308",
      "DOI": "10.1021/jp0008445",
      "volume": "104",
      "author": "Vollmer J. M.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp012377cb00022/jp012377cb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "127",
      "DOI": "10.1107/S0108768187098173",
      "volume": "43",
      "author": "van Koningsveld H.",
      "year": "1987",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "jp012377cb00023/jp012377cb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "9943",
      "DOI": "10.1021/jp9721107",
      "volume": "101",
      "author": "Ricchiardi G.",
      "year": "1997",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp012377cb00024/jp012377cb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "10035",
      "DOI": "10.1021/jp971779a",
      "volume": "101",
      "author": "Eichler U.",
      "year": "1997",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp012377cb00025/jp012377cb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "2019",
      "DOI": "10.1039/a900214f",
      "volume": "1",
      "author": "Nachtigallov\u00e1 D.",
      "year": "1999",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "jp012377cb00026/jp012377cb00026_1",
      "volume-title": "Density-Functional Theory of Atoms and Molecules",
      "author": "Parr R. G.",
      "year": "1989"
    },
    {
      "key": "jp012377cb00027/jp012377cb00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "4129",
      "DOI": "10.1063/1.472283",
      "volume": "105",
      "author": "Ferrari A. M.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp012377cb00028/jp012377cb00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "227",
      "DOI": "10.1016/S0166-1280(97)00249-2",
      "volume": "419",
      "author": "Civalleri B.",
      "year": "1997",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp012377cb00029/jp012377cb00029_1",
      "unstructured": "Jaguar 4.0; Schrodinger, Inc.\u2009 Portland, Oregon, 2000."
    },
    {
      "key": "jp012377cb00030/jp012377cb00030_1",
      "volume-title": "Gaussian 98, revision A.3",
      "author": "Frisch M. J.",
      "year": "1998"
    },
    {
      "key": "jp012377cb00031/jp012377cb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "221",
      "DOI": "10.1002/qua.560560824",
      "volume": "29",
      "author": "Pisani C.",
      "year": "1995",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp012377cb00032/jp012377cb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "9415",
      "DOI": "10.1021/jp990571h",
      "volume": "103",
      "author": "Vollmer J. M.",
      "year": "1999",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp012377cb00033/jp012377cb00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "3018",
      "DOI": "10.1021/jp9802580",
      "volume": "102",
      "author": "Stefanovich E. V.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp012377cb00034/jp012377cb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "6679",
      "DOI": "10.1021/j100127a018",
      "volume": "97",
      "author": "Cook S. J.",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp012377cb00035/jp012377cb00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "8703",
      "DOI": "10.1021/j100136a009",
      "volume": "97",
      "author": "White J. C.",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp012377cb00036/jp012377cb00036_1",
      "doi-asserted-by": "crossref",
      "first-page": "1505",
      "DOI": "10.1021/j100005a022",
      "volume": "99",
      "author": "Kyrlidis A.",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp012377cb00037/jp012377cb00037_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Limtrakul, J.; Khongpracha, P.; Jungsuttiwong S.; Troung T. N.J. Mol.Catal.:\u2009Chem.2000,153, 155.",
      "DOI": "10.1016/S1381-1169(99)00339-8"
    },
    {
      "key": "jp012377cb00039/jp012377cb00039_1",
      "unstructured": "Wright, J. R.Jaguar User's Guide, version 3.5; Schrodinger, Inc.\u2009 Portland, Oregon, July 1998; p 47."
    },
    {
      "key": "jp012377cb00040/jp012377cb00040_1",
      "first-page": "69",
      "volume": "238",
      "author": "Sheppard N.",
      "year": "1956",
      "journal-title": "Proc. R. Soc. Ser. A"
    },
    {
      "key": "jp012377cb00041/jp012377cb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "987",
      "DOI": "10.1080/00268979909483039",
      "volume": "96",
      "author": "Cohen De Lara E.",
      "year": "1999",
      "journal-title": "Mol. Phys."
    }
  ],
  "container-title": "The Journal of Physical Chemistry A",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp012377c",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        10,
        13
      ]
    ],
    "date-time": "2021-10-13T06:23:14Z",
    "timestamp": 1634106194000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp012377c"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2001,
        10,
        19
      ]
    ]
  },
  "references-count": 40,
  "journal-issue": {
    "issue": "45",
    "published-print": {
      "date-parts": [
        [
          2001,
          11,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp012377c"
  ],
  "URL": "http://dx.doi.org/10.1021/jp012377c",
  "relation": {},
  "ISSN": [
    "1089-5639",
    "1520-5215"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. A",
  "published": {
    "date-parts": [
      [
        2001,
        10,
        19
      ]
    ]
  }
}