DOI: 10.1016/j.fluid.2007.07.042. Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1

Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1

10.1016/j.fluid.2007.07.042

Crossref journal-article

Elsevier BV

Fluid Phase Equilibria (78)

Bibliography

Dubbeldam, D., Frost, H., Walton, K. S., & Snurr, R. Q. (2007). Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1. Fluid Phase Equilibria, 261(1â2), 152â161.

Authors 4

David Dubbeldam (first)
Houston Frost (additional)
Krista S. Walton (additional)
Randall Q. Snurr (additional)

References 35 Referenced 132

10.1038/nature01650 / Nature by Yaghi (2003)
10.1039/b200393g / Chem. Soc. Rev. by James (2003)
10.1002/aic.10101 / AIChE J. by Snurr (2004)
10.1016/j.micromeso.2004.03.034 / Microporous Mesoporous Mater. by Rowsell (2004)
10.1038/nature01650 / Nature by Kitagawa (2003)
10.1038/46248 / Nature by Li (1999)
10.1021/ar000034b / Acc. Chem. Res. by Eddaoudi (2001)
10.1126/science.1067208 / Science by Eddaoudi (2002)
10.1126/science.1113247 / Science by Rowsell (2005)
10.1016/j.micromeso.2005.04.019 / Microporous Mesoporous Mater. by Gonzalez (2005)
10.1002/anie.200601746 / Angew. Chem. Int. Ed. by Amirjalayer (2007)
10.1021/ja071174k / J. Am. Chem. Soc. by Walton (2007)
10.1021/la0355500 / Langmuir by Düren (2004)
10.1021/jp051903n / J. Phys. Chem. B by Yang (2005)
10.1021/jp050948l / J. Phys. Chem. B by Garberoglio (2005)
10.1002/cphc.200600191 / Chem. Phys. Chem. by Yang (2006)
10.1002/anie.200700218 / Angew. Chem. Int. Ed. by Dubbeldam (2007)
10.1021/jp972543+ / J. Phys. Chem. B by Martin (1998)
{'key': '10.1016/j.fluid.2007.07.042_bib19', 'series-title': 'Intermolecular forces: their origin and determination', 'author': 'Mailand', 'year': '1981'} / Intermolecular forces: their origin and determination by Mailand (1981)
10.1002/aic.690470719 / AICHE J. by Potoff (2001)
10.1063/1.477109 / J. Chem. Phys. by Darkrim (1998)
10.1021/j100031a034 / J. Phys. Chem. by Harris (1995)
{'key': '10.1016/j.fluid.2007.07.042_bib23', 'series-title': 'Understanding Molecular Simulation', 'author': 'Frenkel', 'year': '2002'} / Understanding Molecular Simulation by Frenkel (2002)
10.1080/00268979909483082 / Mol. Phys. by Macedonia (1999)
10.1021/jp0477856 / J. Phys. Chem. B by Düren (2004)
10.1021/jp060433+ / J. Phys. Chem. B by Frost (2006)
10.1021/jp011997a / J. Phys. Chem. B by Jaramillo (2001)
10.1021/ja0476056 / J. Am. Chem. Soc. by Calero (2004)
10.1021/ja049408c / J. Am. Chem. Soc. by Rowsell (2004)
10.1021/ja0675447 / J. Am. Chem. Soc. by Hafizovic (2007)
10.1021/ja064343u / J. Am. Chem. Soc. by Surblé (2006)
10.1063/1.1809608 / J. Chem. Phys. by Sagara (2004)
10.1016/j.chemphys.2005.06.003 / Chem. Phys. by Mulder (2005)
{'key': '10.1016/j.fluid.2007.07.042_bib34', 'series-title': 'Gaussian 03, Revision C. 02', 'author': 'Frisch', 'year': '2004'} / Gaussian 03, Revision C. 02 by Frisch (2004)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)

Dates

Type	When
Created	18 years, 1 month ago (July 19, 2007, 3:18 a.m.)
Deposited	6 years, 3 months ago (May 1, 2019, 1:21 a.m.)
Indexed	2 months ago (June 24, 2025, 3:47 a.m.)
Issued	17 years, 8 months ago (Dec. 1, 2007)
Published	17 years, 8 months ago (Dec. 1, 2007)
Published Print	17 years, 8 months ago (Dec. 1, 2007)

Funders 0

None

BibTeX

@article{Dubbeldam_2007, title={Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1}, volume={261}, ISSN={0378-3812}, url={http://dx.doi.org/10.1016/j.fluid.2007.07.042}, DOI={10.1016/j.fluid.2007.07.042}, number={1–2}, journal={Fluid Phase Equilibria}, publisher={Elsevier BV}, author={Dubbeldam, David and Frost, Houston and Walton, Krista S. and Snurr, Randall Q.}, year={2007}, month=dec, pages={152–161} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        24
      ]
    ],
    "date-time": "2025-06-24T07:47:31Z",
    "timestamp": 1750751251637
  },
  "reference-count": 35,
  "publisher": "Elsevier BV",
  "issue": "1-2",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2007,
            12,
            1
          ]
        ],
        "date-time": "2007-12-01T00:00:00Z",
        "timestamp": 1196467200000
      },
      "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": [
      [
        2007,
        12
      ]
    ]
  },
  "DOI": "10.1016/j.fluid.2007.07.042",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2007,
        7,
        19
      ]
    ],
    "date-time": "2007-07-19T07:18:37Z",
    "timestamp": 1184829517000
  },
  "page": "152-161",
  "source": "Crossref",
  "is-referenced-by-count": 132,
  "title": "Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1",
  "prefix": "10.1016",
  "volume": "261",
  "author": [
    {
      "given": "David",
      "family": "Dubbeldam",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "Houston",
      "family": "Frost",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Krista S.",
      "family": "Walton",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Randall Q.",
      "family": "Snurr",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/j.fluid.2007.07.042_bib1",
      "doi-asserted-by": "crossref",
      "first-page": "705",
      "DOI": "10.1038/nature01650",
      "volume": "423",
      "author": "Yaghi",
      "year": "2003",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib2",
      "doi-asserted-by": "crossref",
      "first-page": "276",
      "DOI": "10.1039/b200393g",
      "volume": "32",
      "author": "James",
      "year": "2003",
      "journal-title": "Chem. Soc. Rev."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib3",
      "doi-asserted-by": "crossref",
      "first-page": "1090",
      "DOI": "10.1002/aic.10101",
      "volume": "50",
      "author": "Snurr",
      "year": "2004",
      "journal-title": "AIChE J."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib4",
      "doi-asserted-by": "crossref",
      "first-page": "3",
      "DOI": "10.1016/j.micromeso.2004.03.034",
      "volume": "73",
      "author": "Rowsell",
      "year": "2004",
      "journal-title": "Microporous Mesoporous Mater."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib5",
      "doi-asserted-by": "crossref",
      "first-page": "705",
      "DOI": "10.1038/nature01650",
      "volume": "423",
      "author": "Kitagawa",
      "year": "2003",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib6",
      "doi-asserted-by": "crossref",
      "first-page": "276",
      "DOI": "10.1038/46248",
      "volume": "402",
      "author": "Li",
      "year": "1999",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib7",
      "doi-asserted-by": "crossref",
      "first-page": "319",
      "DOI": "10.1021/ar000034b",
      "volume": "34",
      "author": "Eddaoudi",
      "year": "2001",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib8",
      "doi-asserted-by": "crossref",
      "first-page": "469",
      "DOI": "10.1126/science.1067208",
      "volume": "295",
      "author": "Eddaoudi",
      "year": "2002",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib9",
      "doi-asserted-by": "crossref",
      "first-page": "1350",
      "DOI": "10.1126/science.1113247",
      "volume": "309",
      "author": "Rowsell",
      "year": "2005",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib10",
      "doi-asserted-by": "crossref",
      "first-page": "97",
      "DOI": "10.1016/j.micromeso.2005.04.019",
      "volume": "84",
      "author": "Gonzalez",
      "year": "2005",
      "journal-title": "Microporous Mesoporous Mater."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib11",
      "doi-asserted-by": "crossref",
      "first-page": "463",
      "DOI": "10.1002/anie.200601746",
      "volume": "46",
      "author": "Amirjalayer",
      "year": "2007",
      "journal-title": "Angew. Chem. Int. Ed."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib12",
      "doi-asserted-by": "crossref",
      "first-page": "8552",
      "DOI": "10.1021/ja071174k",
      "volume": "129",
      "author": "Walton",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib13",
      "doi-asserted-by": "crossref",
      "first-page": "2683",
      "DOI": "10.1021/la0355500",
      "volume": "20",
      "author": "D\u00fcren",
      "year": "2004",
      "journal-title": "Langmuir"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib14",
      "doi-asserted-by": "crossref",
      "first-page": "11862",
      "DOI": "10.1021/jp051903n",
      "volume": "109",
      "author": "Yang",
      "year": "2005",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib15",
      "doi-asserted-by": "crossref",
      "first-page": "13094",
      "DOI": "10.1021/jp050948l",
      "volume": "109",
      "author": "Garberoglio",
      "year": "2005",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib16",
      "doi-asserted-by": "crossref",
      "first-page": "1417",
      "DOI": "10.1002/cphc.200600191",
      "volume": "7",
      "author": "Yang",
      "year": "2006",
      "journal-title": "Chem. Phys. Chem."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib17",
      "doi-asserted-by": "crossref",
      "first-page": "4496",
      "DOI": "10.1002/anie.200700218",
      "volume": "46",
      "author": "Dubbeldam",
      "year": "2007",
      "journal-title": "Angew. Chem. Int. Ed."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib18",
      "doi-asserted-by": "crossref",
      "first-page": "2569",
      "DOI": "10.1021/jp972543+",
      "volume": "102",
      "author": "Martin",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib19",
      "series-title": "Intermolecular forces: their origin and determination",
      "author": "Mailand",
      "year": "1981"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib20",
      "doi-asserted-by": "crossref",
      "first-page": "1676",
      "DOI": "10.1002/aic.690470719",
      "volume": "47",
      "author": "Potoff",
      "year": "2001",
      "journal-title": "AICHE J."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib21",
      "doi-asserted-by": "crossref",
      "first-page": "4981",
      "DOI": "10.1063/1.477109",
      "volume": "109",
      "author": "Darkrim",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib22",
      "doi-asserted-by": "crossref",
      "first-page": "12021",
      "DOI": "10.1021/j100031a034",
      "volume": "99",
      "author": "Harris",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib23",
      "series-title": "Understanding Molecular Simulation",
      "author": "Frenkel",
      "year": "2002"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib24",
      "doi-asserted-by": "crossref",
      "first-page": "1375",
      "DOI": "10.1080/00268979909483082",
      "volume": "96",
      "author": "Macedonia",
      "year": "1999",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib25",
      "doi-asserted-by": "crossref",
      "first-page": "15703",
      "DOI": "10.1021/jp0477856",
      "volume": "108",
      "author": "D\u00fcren",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib26",
      "doi-asserted-by": "crossref",
      "first-page": "9565",
      "DOI": "10.1021/jp060433+",
      "volume": "110",
      "author": "Frost",
      "year": "2006",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib27",
      "doi-asserted-by": "crossref",
      "first-page": "12319",
      "DOI": "10.1021/jp011997a",
      "volume": "105",
      "author": "Jaramillo",
      "year": "2001",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib28",
      "doi-asserted-by": "crossref",
      "first-page": "11377",
      "DOI": "10.1021/ja0476056",
      "volume": "126",
      "author": "Calero",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib29",
      "doi-asserted-by": "crossref",
      "first-page": "5666",
      "DOI": "10.1021/ja049408c",
      "volume": "126",
      "author": "Rowsell",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib30",
      "doi-asserted-by": "crossref",
      "first-page": "3612",
      "DOI": "10.1021/ja0675447",
      "volume": "129",
      "author": "Hafizovic",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib31",
      "doi-asserted-by": "crossref",
      "first-page": "14889",
      "DOI": "10.1021/ja064343u",
      "volume": "128",
      "author": "Surbl\u00e9",
      "year": "2006",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib32",
      "doi-asserted-by": "crossref",
      "first-page": "12543",
      "DOI": "10.1063/1.1809608",
      "volume": "121",
      "author": "Sagara",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib33",
      "doi-asserted-by": "crossref",
      "first-page": "113",
      "DOI": "10.1016/j.chemphys.2005.06.003",
      "volume": "317",
      "author": "Mulder",
      "year": "2005",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib34",
      "series-title": "Gaussian 03, Revision C. 02",
      "author": "Frisch",
      "year": "2004"
    },
    {
      "key": "10.1016/j.fluid.2007.07.042_bib35",
      "doi-asserted-by": "crossref",
      "first-page": "3865",
      "DOI": "10.1103/PhysRevLett.77.3865",
      "volume": "77",
      "author": "Perdew",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    }
  ],
  "container-title": "Fluid Phase Equilibria",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0378381207004098?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0378381207004098?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2019,
        5,
        1
      ]
    ],
    "date-time": "2019-05-01T05:21:10Z",
    "timestamp": 1556688070000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S0378381207004098"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2007,
        12
      ]
    ]
  },
  "references-count": 35,
  "journal-issue": {
    "issue": "1-2",
    "published-print": {
      "date-parts": [
        [
          2007,
          12
        ]
      ]
    }
  },
  "alternative-id": [
    "S0378381207004098"
  ],
  "URL": "http://dx.doi.org/10.1016/j.fluid.2007.07.042",
  "relation": {},
  "ISSN": [
    "0378-3812"
  ],
  "subject": [],
  "container-title-short": "Fluid Phase Equilibria",
  "published": {
    "date-parts": [
      [
        2007,
        12
      ]
    ]
  }
}