DOI: 10.1006/jcat.1998.2293. DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2

DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2

10.1006/jcat.1998.2293

Crossref journal-article

Elsevier BV

Journal of Catalysis (78)

Bibliography

Natal-Santiago, M. A., AlcalÃ¡, R., & Dumesic, J. A. (1999). DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2. Journal of Catalysis, 181(1), 124â144.

Authors 3

M.A. Natal-Santiago (first)
R. Alcalá (additional)
J.A. Dumesic (additional)

References 69 Referenced 46

{'year': '1991', 'series-title': 'Heterogeneous Catalysis in Industrial Practice,', 'author': 'Satterfield', 'key': '10.1006/jcat.1998.2293_RF1'} / Heterogeneous Catalysis in Industrial Practice, by Satterfield (1991)
10.1021/cr00035a006 / Chem. Rev. by Corma (1995)
10.1021/cr00035a008 / Chem. Rev. by Van Santen (1995)
10.1016/0304-5102(93)E0206-V / J. Molec. Catal. by Meusinger (1994)
10.1016/0021-9517(92)90075-S / J. Catal. by Shertukde (1992)
{'year': '1990', 'series-title': 'Theoretical Aspects of Heterogeneous Catalysis', 'author': 'Moffat', 'key': '10.1006/jcat.1998.2293_RF6'} / Theoretical Aspects of Heterogeneous Catalysis by Moffat (1990)
10.1016/0021-9517(88)90264-3 / J. Catal. by Abbot (1988)
10.1016/0021-9517(89)90002-X / J. Catal. by Abbot (1989)
{'year': '1986', 'series-title': 'Catalytic Cracking: Catalysis, Chemistry, and Kinetics.', 'author': 'Wojciechowski', 'key': '10.1006/jcat.1998.2293_RF9'} / Catalytic Cracking: Catalysis, Chemistry, and Kinetics. by Wojciechowski (1986)
10.1016/0021-9517(85)90148-4 / J. Catal. by Corma (1985)
10.1016/0021-9517(85)90209-X / J. Catal. by Corma (1985)
{'year': '1992', 'series-title': 'Catalytic Chemistry.', 'author': 'Gates', 'key': '10.1006/jcat.1998.2293_RF12'} / Catalytic Chemistry. by Gates (1992)
10.1002/9780470171882.ch4 / Progr. Phys. Org. Chem. by Brouwer (1972)
{'year': '1980', 'series-title': 'Chemistry and Chemical Engineering of Catalytic Processes', 'author': 'Brouwer', 'key': '10.1006/jcat.1998.2293_RF14'} / Chemistry and Chemical Engineering of Catalytic Processes by Brouwer (1980)
10.1016/S0360-0564(08)60628-8 / Adv. Catal. by Haw (1998)
10.1021/ja00096a036 / J. Am. Chem. Soc. by Xu (1994)
10.1021/ar950105k / Acc. Chem. Res. by Haw (1996)
10.1007/BF00765044 / Catal. Lett. by Stepanov (1992)
10.1021/ar00012a004 / Acc. Chem. Res. by Kazansky (1991)
10.1021/ja00158a026 / J. Am. Chem. Soc. by Malkin (1990)
10.1021/ja00188a016 / J. Am. Chem. Soc. by Haw (1989)
10.1021/ja00185a009 / J. Am. Chem. Soc. by Aronson (1989)
10.1021/ja00251a043 / J. Am. Chem. Soc. by Zardkoohi (1987)
10.1016/S0360-0564(08)60627-6 / Adv. Catal. by Bates (1998)
10.1006/jcat.1997.1574 / J. Catal. by Rigby (1997)
{'key': '10.1006/jcat.1998.2293_RF26', 'first-page': '515', 'volume': '93', 'author': 'Frash', 'year': '1997', 'journal-title': 'J. Chem. Soc.: Faraday Transactions'} / J. Chem. Soc.: Faraday Transactions by Frash (1997)
10.1023/A:1019052920813 / Catal. Lett. by Natal-Santiago (1997)
10.1021/jp952280o / J. Phys. Chem. by Mota (1996)
10.1021/jp951408z / J. Phys. Chem. by Evleth (1996)
10.1021/j100153a047 / J. Phys. Chem. by Viruela-Martı́n (1993)
10.1016/0304-5102(91)80160-5 / J. Molec. Catal. by Kazansky (1991)
10.1007/BF00764193 / Catal. Lett. by Sechenya (1991)
10.1007/BF01557734 / Bull. Acad. Sci. USSR: Div. Chem. Sci. by Kazanskii (1990)
10.1016/0021-9517(89)90139-5 / J. Catal. by Kazansky (1989)
10.1023/A:1019066718512 / Catal. Lett. by Kazansky (1997)
10.1021/jp9523231 / J. Phys. Chem. by Blaszkowski (1996)
10.1021/ja00111a014 / J. Am. Chem. Soc. by Kramer (1995)
10.1021/j100100a021 / J. Phys. Chem. by Blaszkowski (1994)
10.1038/363529a0 / Nature by Kramer (1993)
{'key': '10.1006/jcat.1998.2293_RF40', 'first-page': '1233', 'volume': '101', 'author': 'Kazansky', 'year': '1996', 'journal-title': '11th Int. Congr. Catal.'} / 11th Int. Congr. Catal. by Kazansky (1996)
10.1016/0009-2614(95)01149-3 / Chem. Phys. Lett. by Collins (1995)
10.1006/jcat.1995.1111 / J. Catal. by Collins (1995)
10.1007/BF00813921 / Catal. Lett. by Kazansky (1994)
10.1007/BF00806050 / Catal. Lett. by Kazansky (1994)
10.1016/0021-9517(85)90269-6 / J. Catal. by Kramer (1985)
10.1021/ar00123a003 / Acc. Chem. Res. by Kramer (1986)
10.1016/0021-9517(83)90055-6 / J. Catal. by McVicker (1983)
{'key': '10.1006/jcat.1998.2293_RF48', 'first-page': '563', 'volume': '101', 'author': 'Soled', 'year': '1996', 'journal-title': '11th Int. Congr. Catal.'} / 11th Int. Congr. Catal. by Soled (1996)
10.1016/0166-1280(87)80023-4 / J. Mol. Struc. (Theochem) by Carbó (1987)
10.1021/ja00054a037 / J. Am. Chem. Soc. by Sieber (1993)
10.1021/jp9514077 / J. Phys. Chem. by Boronat (1996)
10.1021/jp961179w / J. Phys. Chem. by Boronat (1996)
10.1063/1.464913 / J. Chem. Phys. by Becke (1993)
{'year': '1986', 'series-title': 'Ab Initio Molecular Orbital Theory.', 'author': 'Hehre', 'key': '10.1006/jcat.1998.2293_RF54'} / Ab Initio Molecular Orbital Theory. by Hehre (1986)
10.1002/(SICI)1097-461X(1998)69:3<241::AID-QUA3>3.0.CO;2-V / Int. J. Quant. Chem. by Davidson (1998)
10.1021/jp960669l / J. Phys. Chem. by Kohn (1996)
10.1021/cr00005a001 / Chem. Rev. by Ziegler (1991)
{'year': '1995', 'series-title': 'Gaussian 94 (Revision C.2).', 'author': 'Frisch', 'key': '10.1006/jcat.1998.2293_RF58'} / Gaussian 94 (Revision C.2). by Frisch (1995)
10.1002/(SICI)1096-987X(19960115)17:1<49::AID-JCC5>3.0.CO;2-0 / J. Comp. Chem. by Peng (1996)
10.1002/ijch.199300051 / Israel J. Chem. by Peng (1993)
10.1063/1.456010 / J. Chem. Phys. by González (1989)
10.1021/j100377a021 / J. Phys. Chem. by González (1990)
{'year': '1991', 'series-title': 'Quantum Chemistry.', 'author': 'Levine', 'key': '10.1006/jcat.1998.2293_RF63'} / Quantum Chemistry. by Levine (1991)
{'year': '1979', 'series-title': 'Gas Phase Ion Chemistry', 'key': '10.1006/jcat.1998.2293_RF64'} / Gas Phase Ion Chemistry (1979)
10.1021/cr00031a014 / Chem. Rev. by Sauer (1994)
10.1021/ja00060a042 / J. Am. Chem. Soc. by Kramer (1993)
10.1021/cr00091a006 / Chem. Rev. by Sauer (1989)
10.1016/S0360-0564(08)60592-1 / Adv. Catal. by Zhidomirov (1986)
{'year': '1987', 'series-title': 'Chemical Kinetics,', 'author': 'Laidler', 'key': '10.1006/jcat.1998.2293_RF69'} / Chemical Kinetics, by Laidler (1987)

Dates

Type	When
Created	22 years, 10 months ago (Oct. 6, 2002, 4:16 p.m.)
Deposited	8 months, 4 weeks ago (Dec. 2, 2024, 5:43 p.m.)
Indexed	2 months ago (June 27, 2025, 3:43 p.m.)
Issued	26 years, 8 months ago (Jan. 1, 1999)
Published	26 years, 8 months ago (Jan. 1, 1999)
Published Print	26 years, 8 months ago (Jan. 1, 1999)

Funders 0

None

BibTeX

@article{Natal_Santiago_1999, title={DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2}, volume={181}, ISSN={0021-9517}, url={http://dx.doi.org/10.1006/jcat.1998.2293}, DOI={10.1006/jcat.1998.2293}, number={1}, journal={Journal of Catalysis}, publisher={Elsevier BV}, author={Natal-Santiago, M.A. and Alcalá, R. and Dumesic, J.A.}, year={1999}, month=jan, pages={124–144} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        27
      ]
    ],
    "date-time": "2025-06-27T19:43:58Z",
    "timestamp": 1751053438994,
    "version": "3.30.0"
  },
  "reference-count": 69,
  "publisher": "Elsevier BV",
  "issue": "1",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1999,
            1,
            1
          ]
        ],
        "date-time": "1999-01-01T00:00:00Z",
        "timestamp": 915148800000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.elsevier.com/tdm/userlicense/1.0/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1999,
        1
      ]
    ]
  },
  "DOI": "10.1006/jcat.1998.2293",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        10,
        6
      ]
    ],
    "date-time": "2002-10-06T20:16:27Z",
    "timestamp": 1033935387000
  },
  "page": "124-144",
  "source": "Crossref",
  "is-referenced-by-count": 46,
  "title": "DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2",
  "prefix": "10.1006",
  "volume": "181",
  "author": [
    {
      "given": "M.A.",
      "family": "Natal-Santiago",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "R.",
      "family": "Alcal\u00e1",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "J.A.",
      "family": "Dumesic",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "year": "1991",
      "series-title": "Heterogeneous Catalysis in Industrial Practice,",
      "author": "Satterfield",
      "key": "10.1006/jcat.1998.2293_RF1"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF2",
      "doi-asserted-by": "crossref",
      "first-page": "559",
      "DOI": "10.1021/cr00035a006",
      "volume": "95",
      "author": "Corma",
      "year": "1995",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF3",
      "doi-asserted-by": "crossref",
      "first-page": "637",
      "DOI": "10.1021/cr00035a008",
      "volume": "95",
      "author": "Van Santen",
      "year": "1995",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF4",
      "doi-asserted-by": "crossref",
      "first-page": "263",
      "DOI": "10.1016/0304-5102(93)E0206-V",
      "volume": "87",
      "author": "Meusinger",
      "year": "1994",
      "journal-title": "J. Molec. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF5",
      "doi-asserted-by": "crossref",
      "first-page": "446",
      "DOI": "10.1016/0021-9517(92)90075-S",
      "volume": "136",
      "author": "Shertukde",
      "year": "1992",
      "journal-title": "J. Catal."
    },
    {
      "year": "1990",
      "series-title": "Theoretical Aspects of Heterogeneous Catalysis",
      "author": "Moffat",
      "key": "10.1006/jcat.1998.2293_RF6"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF7",
      "doi-asserted-by": "crossref",
      "first-page": "353",
      "DOI": "10.1016/0021-9517(88)90264-3",
      "volume": "113",
      "author": "Abbot",
      "year": "1988",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF8",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0021-9517(89)90002-X",
      "volume": "115",
      "author": "Abbot",
      "year": "1989",
      "journal-title": "J. Catal."
    },
    {
      "year": "1986",
      "series-title": "Catalytic Cracking: Catalysis, Chemistry, and Kinetics.",
      "author": "Wojciechowski",
      "key": "10.1006/jcat.1998.2293_RF9"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF10",
      "doi-asserted-by": "crossref",
      "first-page": "30",
      "DOI": "10.1016/0021-9517(85)90148-4",
      "volume": "93",
      "author": "Corma",
      "year": "1985",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF11",
      "doi-asserted-by": "crossref",
      "first-page": "445",
      "DOI": "10.1016/0021-9517(85)90209-X",
      "volume": "94",
      "author": "Corma",
      "year": "1985",
      "journal-title": "J. Catal."
    },
    {
      "year": "1992",
      "series-title": "Catalytic Chemistry.",
      "author": "Gates",
      "key": "10.1006/jcat.1998.2293_RF12"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF13",
      "doi-asserted-by": "crossref",
      "first-page": "179",
      "DOI": "10.1002/9780470171882.ch4",
      "volume": "9",
      "author": "Brouwer",
      "year": "1972",
      "journal-title": "Progr. Phys. Org. Chem."
    },
    {
      "year": "1980",
      "series-title": "Chemistry and Chemical Engineering of Catalytic Processes",
      "author": "Brouwer",
      "key": "10.1006/jcat.1998.2293_RF14"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF15",
      "doi-asserted-by": "crossref",
      "first-page": "115",
      "DOI": "10.1016/S0360-0564(08)60628-8",
      "volume": "42",
      "author": "Haw",
      "year": "1998",
      "journal-title": "Adv. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF16",
      "doi-asserted-by": "crossref",
      "first-page": "7753",
      "DOI": "10.1021/ja00096a036",
      "volume": "116",
      "author": "Xu",
      "year": "1994",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF17",
      "doi-asserted-by": "crossref",
      "first-page": "259",
      "DOI": "10.1021/ar950105k",
      "volume": "29",
      "author": "Haw",
      "year": "1996",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF18",
      "doi-asserted-by": "crossref",
      "first-page": "407",
      "DOI": "10.1007/BF00765044",
      "volume": "13",
      "author": "Stepanov",
      "year": "1992",
      "journal-title": "Catal. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF19",
      "doi-asserted-by": "crossref",
      "first-page": "379",
      "DOI": "10.1021/ar00012a004",
      "volume": "24",
      "author": "Kazansky",
      "year": "1991",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF20",
      "doi-asserted-by": "crossref",
      "first-page": "666",
      "DOI": "10.1021/ja00158a026",
      "volume": "112",
      "author": "Malkin",
      "year": "1990",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF21",
      "doi-asserted-by": "crossref",
      "first-page": "2052",
      "DOI": "10.1021/ja00188a016",
      "volume": "111",
      "author": "Haw",
      "year": "1989",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF22",
      "doi-asserted-by": "crossref",
      "first-page": "840",
      "DOI": "10.1021/ja00185a009",
      "volume": "111",
      "author": "Aronson",
      "year": "1989",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF23",
      "doi-asserted-by": "crossref",
      "first-page": "5278",
      "DOI": "10.1021/ja00251a043",
      "volume": "109",
      "author": "Zardkoohi",
      "year": "1987",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF24",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/S0360-0564(08)60627-6",
      "volume": "42",
      "author": "Bates",
      "year": "1998",
      "journal-title": "Adv. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF25",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1006/jcat.1997.1574",
      "volume": "170",
      "author": "Rigby",
      "year": "1997",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF26",
      "first-page": "515",
      "volume": "93",
      "author": "Frash",
      "year": "1997",
      "journal-title": "J. Chem. Soc.: Faraday Transactions"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF27",
      "doi-asserted-by": "crossref",
      "first-page": "119",
      "DOI": "10.1023/A:1019052920813",
      "volume": "47",
      "author": "Natal-Santiago",
      "year": "1997",
      "journal-title": "Catal. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF28",
      "doi-asserted-by": "crossref",
      "first-page": "12418",
      "DOI": "10.1021/jp952280o",
      "volume": "100",
      "author": "Mota",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF29",
      "doi-asserted-by": "crossref",
      "first-page": "11368",
      "DOI": "10.1021/jp951408z",
      "volume": "100",
      "author": "Evleth",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF30",
      "doi-asserted-by": "crossref",
      "first-page": "13713",
      "DOI": "10.1021/j100153a047",
      "volume": "97",
      "author": "Viruela-Mart\u0131\u0301n",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF31",
      "doi-asserted-by": "crossref",
      "first-page": "189",
      "DOI": "10.1016/0304-5102(91)80160-5",
      "volume": "70",
      "author": "Kazansky",
      "year": "1991",
      "journal-title": "J. Molec. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF32",
      "doi-asserted-by": "crossref",
      "first-page": "317",
      "DOI": "10.1007/BF00764193",
      "volume": "8",
      "author": "Sechenya",
      "year": "1991",
      "journal-title": "Catal. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF33",
      "doi-asserted-by": "crossref",
      "first-page": "2058",
      "DOI": "10.1007/BF01557734",
      "volume": "39",
      "author": "Kazanskii",
      "year": "1990",
      "journal-title": "Bull. Acad. Sci. USSR: Div. Chem. Sci."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF34",
      "doi-asserted-by": "crossref",
      "first-page": "108",
      "DOI": "10.1016/0021-9517(89)90139-5",
      "volume": "119",
      "author": "Kazansky",
      "year": "1989",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF35",
      "doi-asserted-by": "crossref",
      "first-page": "61",
      "DOI": "10.1023/A:1019066718512",
      "volume": "48",
      "author": "Kazansky",
      "year": "1997",
      "journal-title": "Catal. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF36",
      "doi-asserted-by": "crossref",
      "first-page": "3463",
      "DOI": "10.1021/jp9523231",
      "volume": "100",
      "author": "Blaszkowski",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF37",
      "doi-asserted-by": "crossref",
      "first-page": "1766",
      "DOI": "10.1021/ja00111a014",
      "volume": "117",
      "author": "Kramer",
      "year": "1995",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF38",
      "doi-asserted-by": "crossref",
      "first-page": "12938",
      "DOI": "10.1021/j100100a021",
      "volume": "98",
      "author": "Blaszkowski",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF39",
      "doi-asserted-by": "crossref",
      "first-page": "529",
      "DOI": "10.1038/363529a0",
      "volume": "363",
      "author": "Kramer",
      "year": "1993",
      "journal-title": "Nature"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF40",
      "first-page": "1233",
      "volume": "101",
      "author": "Kazansky",
      "year": "1996",
      "journal-title": "11th Int. Congr. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF41",
      "doi-asserted-by": "crossref",
      "first-page": "555",
      "DOI": "10.1016/0009-2614(95)01149-3",
      "volume": "246",
      "author": "Collins",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF42",
      "doi-asserted-by": "crossref",
      "first-page": "94",
      "DOI": "10.1006/jcat.1995.1111",
      "volume": "153",
      "author": "Collins",
      "year": "1995",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF43",
      "doi-asserted-by": "crossref",
      "first-page": "345",
      "DOI": "10.1007/BF00813921",
      "volume": "27",
      "author": "Kazansky",
      "year": "1994",
      "journal-title": "Catal. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF44",
      "doi-asserted-by": "crossref",
      "first-page": "211",
      "DOI": "10.1007/BF00806050",
      "volume": "28",
      "author": "Kazansky",
      "year": "1994",
      "journal-title": "Catal. Lett."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF45",
      "doi-asserted-by": "crossref",
      "first-page": "355",
      "DOI": "10.1016/0021-9517(85)90269-6",
      "volume": "92",
      "author": "Kramer",
      "year": "1985",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF46",
      "doi-asserted-by": "crossref",
      "first-page": "78",
      "DOI": "10.1021/ar00123a003",
      "volume": "19",
      "author": "Kramer",
      "year": "1986",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF47",
      "doi-asserted-by": "crossref",
      "first-page": "286",
      "DOI": "10.1016/0021-9517(83)90055-6",
      "volume": "83",
      "author": "McVicker",
      "year": "1983",
      "journal-title": "J. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF48",
      "first-page": "563",
      "volume": "101",
      "author": "Soled",
      "year": "1996",
      "journal-title": "11th Int. Congr. Catal."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF49",
      "doi-asserted-by": "crossref",
      "first-page": "33",
      "DOI": "10.1016/0166-1280(87)80023-4",
      "volume": "150",
      "author": "Carb\u00f3",
      "year": "1987",
      "journal-title": "J. Mol. Struc. (Theochem)"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF50",
      "doi-asserted-by": "crossref",
      "first-page": "259",
      "DOI": "10.1021/ja00054a037",
      "volume": "115",
      "author": "Sieber",
      "year": "1993",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF51",
      "doi-asserted-by": "crossref",
      "first-page": "633",
      "DOI": "10.1021/jp9514077",
      "volume": "100",
      "author": "Boronat",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF52",
      "doi-asserted-by": "crossref",
      "first-page": "16514",
      "DOI": "10.1021/jp961179w",
      "volume": "100",
      "author": "Boronat",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF53",
      "doi-asserted-by": "crossref",
      "first-page": "5648",
      "DOI": "10.1063/1.464913",
      "volume": "98",
      "author": "Becke",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "year": "1986",
      "series-title": "Ab Initio Molecular Orbital Theory.",
      "author": "Hehre",
      "key": "10.1006/jcat.1998.2293_RF54"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF55",
      "doi-asserted-by": "crossref",
      "first-page": "241",
      "DOI": "10.1002/(SICI)1097-461X(1998)69:3<241::AID-QUA3>3.0.CO;2-V",
      "volume": "69",
      "author": "Davidson",
      "year": "1998",
      "journal-title": "Int. J. Quant. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF56",
      "doi-asserted-by": "crossref",
      "first-page": "12974",
      "DOI": "10.1021/jp960669l",
      "volume": "100",
      "author": "Kohn",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF57",
      "doi-asserted-by": "crossref",
      "first-page": "651",
      "DOI": "10.1021/cr00005a001",
      "volume": "91",
      "author": "Ziegler",
      "year": "1991",
      "journal-title": "Chem. Rev."
    },
    {
      "year": "1995",
      "series-title": "Gaussian 94 (Revision C.2).",
      "author": "Frisch",
      "key": "10.1006/jcat.1998.2293_RF58"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF59",
      "doi-asserted-by": "crossref",
      "first-page": "49",
      "DOI": "10.1002/(SICI)1096-987X(19960115)17:1<49::AID-JCC5>3.0.CO;2-0",
      "volume": "17",
      "author": "Peng",
      "year": "1996",
      "journal-title": "J. Comp. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF60",
      "doi-asserted-by": "crossref",
      "first-page": "449",
      "DOI": "10.1002/ijch.199300051",
      "volume": "33",
      "author": "Peng",
      "year": "1993",
      "journal-title": "Israel J. Chem."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF61",
      "doi-asserted-by": "crossref",
      "first-page": "2154",
      "DOI": "10.1063/1.456010",
      "volume": "90",
      "author": "Gonz\u00e1lez",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF62",
      "doi-asserted-by": "crossref",
      "first-page": "5523",
      "DOI": "10.1021/j100377a021",
      "volume": "94",
      "author": "Gonz\u00e1lez",
      "year": "1990",
      "journal-title": "J. Phys. Chem."
    },
    {
      "year": "1991",
      "series-title": "Quantum Chemistry.",
      "author": "Levine",
      "key": "10.1006/jcat.1998.2293_RF63"
    },
    {
      "year": "1979",
      "series-title": "Gas Phase Ion Chemistry",
      "key": "10.1006/jcat.1998.2293_RF64"
    },
    {
      "key": "10.1006/jcat.1998.2293_RF65",
      "doi-asserted-by": "crossref",
      "first-page": "2095",
      "DOI": "10.1021/cr00031a014",
      "volume": "94",
      "author": "Sauer",
      "year": "1994",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF66",
      "doi-asserted-by": "crossref",
      "first-page": "2887",
      "DOI": "10.1021/ja00060a042",
      "volume": "115",
      "author": "Kramer",
      "year": "1993",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF67",
      "doi-asserted-by": "crossref",
      "first-page": "199",
      "DOI": "10.1021/cr00091a006",
      "volume": "89",
      "author": "Sauer",
      "year": "1989",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1006/jcat.1998.2293_RF68",
      "doi-asserted-by": "crossref",
      "first-page": "131",
      "DOI": "10.1016/S0360-0564(08)60592-1",
      "volume": "34",
      "author": "Zhidomirov",
      "year": "1986",
      "journal-title": "Adv. Catal."
    },
    {
      "year": "1987",
      "series-title": "Chemical Kinetics,",
      "author": "Laidler",
      "key": "10.1006/jcat.1998.2293_RF69"
    }
  ],
  "container-title": "Journal of Catalysis",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S002195179892293X?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S002195179892293X?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        12,
        2
      ]
    ],
    "date-time": "2024-12-02T22:43:47Z",
    "timestamp": 1733179427000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S002195179892293X"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1999,
        1
      ]
    ]
  },
  "references-count": 69,
  "journal-issue": {
    "issue": "1",
    "published-print": {
      "date-parts": [
        [
          1999,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "S002195179892293X"
  ],
  "URL": "http://dx.doi.org/10.1006/jcat.1998.2293",
  "relation": {},
  "ISSN": [
    "0021-9517"
  ],
  "subject": [],
  "container-title-short": "Journal of Catalysis",
  "published": {
    "date-parts": [
      [
        1999,
        1
      ]
    ]
  }
}