DOI: 10.1016/s1387-1811(98)00313-8. A generation of framework structures for the tectosilicates using a molecular-based potential energy function and simulated annealing strategies

A generation of framework structures for the tectosilicates using a molecular-based potential energy function and simulated annealing strategies

10.1016/s1387-1811(98)00313-8

Crossref journal-article

Elsevier BV

Microporous and Mesoporous Materials (78)

Bibliography

Boisen, M. B., Gibbs, G. V., OâKeeffe, M., & Bartelmehs, K. L. (1999). A generation of framework structures for the tectosilicates using a molecular-based potential energy function and simulated annealing strategies. Microporous and Mesoporous Materials, 29(3), 219â266.

Authors 4

M.B Boisen (first)
G.V Gibbs (additional)
M O'Keeffe (additional)
K.L Bartelmehs (additional)

References 38 Referenced 47

10.1107/S0108768193014466 / Acta Cryst. B by Hawthorne (1994)
10.1007/BF00202091 / Phys. Chem. Miner. by Boisen (1994)
10.1007/BF00209375 / Phys. Chem. Miner. by O'Keeffe (1995)
{'key': '10.1016/S1387-1811(98)00313-8_BIB4', 'first-page': '703', 'volume': '62', 'author': 'Smith', 'year': '1977', 'journal-title': 'Am. Miner.'} / Am. Miner. by Smith (1977)
10.1107/S0108767392001260 / Acta Cryst. A by O'Keeffe (1992)
10.1103/PhysRevB.52.8064 / Phys. Rev. B by Teter (1995)
10.1007/BF00207206 / Phys. Chem. Miner. by Boisen (1993)
W.H. Meier, D.H. Olson, Atlas of Zeolite Structure Types, Butterworths, London, 1987, pp. 1–151.
D.J.M. Burkhard, B.H.W.S. DeJong, A.J.H.M. Meyer, J.H. Van Lenthe, Geoch. Cosmo. Acta 55 (1991) 3453. (10.1016/0016-7037(91)90506-Z)
{'key': '10.1016/S1387-1811(98)00313-8_BIB10', 'first-page': '253', 'volume': '78', 'author': 'Kubicki', 'year': '1993', 'journal-title': 'Am. Miner.'} / Am. Miner. by Kubicki (1993)
10.1021/j100099a017 / J. Phys. Chem. by Teppen (1994)
G.V. Gibbs, J.W. Downs, M.B. Boisen, Jr., SILICA: physical behavior, geochemistry and materials applications, in: P.A. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.), Reviews in Mineralogy, vol. 29, Mineralogical Society of America, Washington, DC, 1994, pp. 331–368. (10.1515/9781501509698-015)
10.1063/1.462066 / J. Chem. Phys. by Becke (1992)
R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford Press, Oxford, 1989, pp. 1–333.
10.1021/j100091a024 / J. Phys. Chem. by Kim (1994)
10.3891/acta.chem.scand.17-2455 / Acta Chem. Scand. by Almennigen (1963)
10.1002/jcc.540150903 / Comput. Chem. by Csonka (1994)
10.1016/0021-9991(84)90095-0 / J. Comput. Phys. by Vanderbilt (1984)
{'key': '10.1016/S1387-1811(98)00313-8_BIB19', 'first-page': '751', 'volume': '77', 'author': 'Downs', 'year': '1992', 'journal-title': 'Am. Miner.'} / Am. Miner. by Downs (1992)
{'key': '10.1016/S1387-1811(98)00313-8_BIB20', 'first-page': '748', 'volume': '75', 'author': 'Boisen', 'year': '1990', 'journal-title': 'Am. Miner.'} / Am. Miner. by Boisen (1990)
10.1524/zkri.1959.112.1-6.409 / Z. Krist. by Shropshire (1959)
{'key': '10.1016/S1387-1811(98)00313-8_BIB22', 'first-page': '551', 'volume': '64', 'author': 'Smith', 'year': '1979', 'journal-title': 'Am. Miner.'} / Am. Miner. by Smith (1979)
{'key': '10.1016/S1387-1811(98)00313-8_BIB23', 'first-page': '553', 'volume': 'A295', 'author': "O'Keeffe", 'year': '1981', 'journal-title': 'PTRSL'} / PTRSL by O'Keeffe (1981)
K.L. Bartelmehs, Modeling the properties of silicates, PhD dissertation, Virginia Polytechnic and State University, Blacksburg, VA, 1993, pp. 1–181.
J.C. Slater, Introduction to Chemical Physics, McGraw–Hill, New York, 1939, pp. 420–443.
10.1107/S056773947800090X / Acta Cryst. a by Tossell (1978)
10.1007/BF00309858 / Phys. Chem. Miner. by Newton (1980)
{'key': '10.1016/S1387-1811(98)00313-8_BIB28', 'first-page': '421', 'volume': '67', 'author': 'Gibbs', 'year': '1982', 'journal-title': 'Am. Miner.'} / Am. Miner. by Gibbs (1982)
10.1007/BF00308214 / Phys. Chem. Miner. by Lasaga (1987)
{'key': '10.1016/S1387-1811(98)00313-8_BIB30', 'first-page': '920', 'volume': '65', 'author': 'Levien', 'year': '1980', 'journal-title': 'Am. Miner.'} / Am. Miner. by Levien (1980)
10.1007/BF00201327 / Phys. Chem. Miner. by Lasaga (1988)
10.1557/PROC-121-155 / Mater. Res. Soc. Symp. Proc. by Gibbs (1988)
10.1007/BF00203204 / Phys. Chem. Miner. by Stixrude (1988)
10.1103/PhysRevLett.61.869 / Phys. Rev. Lett. by Tsuneyuki (1988)
10.1103/PhysRevLett.64.1955 / Phys. Rev. Lett. by van Beest (1990)
{'key': '10.1016/S1387-1811(98)00313-8_BIB36', 'first-page': '392', 'volume': '20', 'author': 'Purton', 'year': '1993', 'journal-title': 'Phys. Chem. Miner.'} / Phys. Chem. Miner. by Purton (1993)
J.A. Tossell, D.J. Vaughan, Theoretical Geochemistry: Applications of Quantum Mechanics in the Earth and Mineral Sciences, Oxford University Press, New York, 1992, pp. 1–514. (10.1093/oso/9780195044034.003.0005)
10.1007/BF02252892 / Struct. Chem. by Hill (1995)

Dates

Type	When
Created	23 years ago (July 25, 2002, 8:57 a.m.)
Deposited	4 years, 3 months ago (May 5, 2021, 10:54 p.m.)
Indexed	1 year, 10 months ago (Oct. 17, 2023, 6:41 p.m.)
Issued	26 years, 1 month ago (July 1, 1999)
Published	26 years, 1 month ago (July 1, 1999)
Published Print	26 years, 1 month ago (July 1, 1999)

Funders 0

None

BibTeX

@article{Boisen_1999, title={A generation of framework structures for the tectosilicates using a molecular-based potential energy function and simulated annealing strategies}, volume={29}, ISSN={1387-1811}, url={http://dx.doi.org/10.1016/s1387-1811(98)00313-8}, DOI={10.1016/s1387-1811(98)00313-8}, number={3}, journal={Microporous and Mesoporous Materials}, publisher={Elsevier BV}, author={Boisen, M.B and Gibbs, G.V and O’Keeffe, M and Bartelmehs, K.L}, year={1999}, month=jul, pages={219–266} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2023,
        10,
        17
      ]
    ],
    "date-time": "2023-10-17T22:41:10Z",
    "timestamp": 1697582470526
  },
  "reference-count": 38,
  "publisher": "Elsevier BV",
  "issue": "3",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1999,
            7,
            1
          ]
        ],
        "date-time": "1999-07-01T00:00:00Z",
        "timestamp": 930787200000
      },
      "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,
        7
      ]
    ]
  },
  "DOI": "10.1016/s1387-1811(98)00313-8",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        25
      ]
    ],
    "date-time": "2002-07-25T12:57:47Z",
    "timestamp": 1027601867000
  },
  "page": "219-266",
  "source": "Crossref",
  "is-referenced-by-count": 47,
  "title": "A generation of framework structures for the tectosilicates using a molecular-based potential energy function and simulated annealing strategies",
  "prefix": "10.1016",
  "volume": "29",
  "author": [
    {
      "suffix": "Jr",
      "given": "M.B",
      "family": "Boisen",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "G.V",
      "family": "Gibbs",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "M",
      "family": "O'Keeffe",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "K.L",
      "family": "Bartelmehs",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB1",
      "doi-asserted-by": "crossref",
      "first-page": "481",
      "DOI": "10.1107/S0108768193014466",
      "volume": "50",
      "author": "Hawthorne",
      "year": "1994",
      "journal-title": "Acta Cryst. B"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB2",
      "doi-asserted-by": "crossref",
      "first-page": "269",
      "DOI": "10.1007/BF00202091",
      "volume": "21",
      "author": "Boisen",
      "year": "1994",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB3",
      "doi-asserted-by": "crossref",
      "first-page": "504",
      "DOI": "10.1007/BF00209375",
      "volume": "22",
      "author": "O'Keeffe",
      "year": "1995",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB4",
      "first-page": "703",
      "volume": "62",
      "author": "Smith",
      "year": "1977",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB5",
      "doi-asserted-by": "crossref",
      "first-page": "663",
      "DOI": "10.1107/S0108767392001260",
      "volume": "48",
      "author": "O'Keeffe",
      "year": "1992",
      "journal-title": "Acta Cryst. A"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "8064",
      "DOI": "10.1103/PhysRevB.52.8064",
      "volume": "52",
      "author": "Teter",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB7",
      "doi-asserted-by": "crossref",
      "first-page": "123",
      "DOI": "10.1007/BF00207206",
      "volume": "20",
      "author": "Boisen",
      "year": "1993",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB8",
      "unstructured": "W.H. Meier, D.H. Olson, Atlas of Zeolite Structure Types, Butterworths, London, 1987, pp. 1\u2013151."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB9",
      "doi-asserted-by": "crossref",
      "unstructured": "D.J.M. Burkhard, B.H.W.S. DeJong, A.J.H.M. Meyer, J.H. Van Lenthe, Geoch. Cosmo. Acta 55 (1991) 3453.",
      "DOI": "10.1016/0016-7037(91)90506-Z"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB10",
      "first-page": "253",
      "volume": "78",
      "author": "Kubicki",
      "year": "1993",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "12545",
      "DOI": "10.1021/j100099a017",
      "volume": "98",
      "author": "Teppen",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB12",
      "doi-asserted-by": "crossref",
      "unstructured": "G.V. Gibbs, J.W. Downs, M.B. Boisen, Jr., SILICA: physical behavior, geochemistry and materials applications, in: P.A. Heaney, C.T. Prewitt, G.V. Gibbs (Eds.), Reviews in Mineralogy, vol. 29, Mineralogical Society of America, Washington, DC, 1994, pp. 331\u2013368.",
      "DOI": "10.1515/9781501509698-015"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB13",
      "doi-asserted-by": "crossref",
      "first-page": "2155",
      "DOI": "10.1063/1.462066",
      "volume": "96",
      "author": "Becke",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB14",
      "unstructured": "R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford Press, Oxford, 1989, pp. 1\u2013333."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB15",
      "doi-asserted-by": "crossref",
      "first-page": "10089",
      "DOI": "10.1021/j100091a024",
      "volume": "98",
      "author": "Kim",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB16",
      "doi-asserted-by": "crossref",
      "first-page": "2455",
      "DOI": "10.3891/acta.chem.scand.17-2455",
      "volume": "17",
      "author": "Almennigen",
      "year": "1963",
      "journal-title": "Acta Chem. Scand."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "925",
      "DOI": "10.1002/jcc.540150903",
      "volume": "15",
      "author": "Csonka",
      "year": "1994",
      "journal-title": "Comput. Chem."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB18",
      "doi-asserted-by": "crossref",
      "first-page": "259",
      "DOI": "10.1016/0021-9991(84)90095-0",
      "volume": "56",
      "author": "Vanderbilt",
      "year": "1984",
      "journal-title": "J. Comput. Phys."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB19",
      "first-page": "751",
      "volume": "77",
      "author": "Downs",
      "year": "1992",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB20",
      "first-page": "748",
      "volume": "75",
      "author": "Boisen",
      "year": "1990",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB21",
      "doi-asserted-by": "crossref",
      "first-page": "409",
      "DOI": "10.1524/zkri.1959.112.1-6.409",
      "volume": "112",
      "author": "Shropshire",
      "year": "1959",
      "journal-title": "Z. Krist."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB22",
      "first-page": "551",
      "volume": "64",
      "author": "Smith",
      "year": "1979",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB23",
      "first-page": "553",
      "volume": "A295",
      "author": "O'Keeffe",
      "year": "1981",
      "journal-title": "PTRSL"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB24",
      "unstructured": "K.L. Bartelmehs, Modeling the properties of silicates, PhD dissertation, Virginia Polytechnic and State University, Blacksburg, VA, 1993, pp. 1\u2013181."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB25",
      "unstructured": "J.C. Slater, Introduction to Chemical Physics, McGraw\u2013Hill, New York, 1939, pp. 420\u2013443."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "463",
      "DOI": "10.1107/S056773947800090X",
      "volume": "34",
      "author": "Tossell",
      "year": "1978",
      "journal-title": "Acta Cryst. a"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB27",
      "doi-asserted-by": "crossref",
      "first-page": "221",
      "DOI": "10.1007/BF00309858",
      "volume": "6",
      "author": "Newton",
      "year": "1980",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB28",
      "first-page": "421",
      "volume": "67",
      "author": "Gibbs",
      "year": "1982",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB29",
      "doi-asserted-by": "crossref",
      "first-page": "107",
      "DOI": "10.1007/BF00308214",
      "volume": "14",
      "author": "Lasaga",
      "year": "1987",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB30",
      "first-page": "920",
      "volume": "65",
      "author": "Levien",
      "year": "1980",
      "journal-title": "Am. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB31",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1007/BF00201327",
      "volume": "16",
      "author": "Lasaga",
      "year": "1988",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB32",
      "doi-asserted-by": "crossref",
      "first-page": "156",
      "DOI": "10.1557/PROC-121-155",
      "volume": "121",
      "author": "Gibbs",
      "year": "1988",
      "journal-title": "Mater. Res. Soc. Symp. Proc."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB33",
      "doi-asserted-by": "crossref",
      "first-page": "209",
      "DOI": "10.1007/BF00203204",
      "volume": "16",
      "author": "Stixrude",
      "year": "1988",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB34",
      "doi-asserted-by": "crossref",
      "first-page": "869",
      "DOI": "10.1103/PhysRevLett.61.869",
      "volume": "61",
      "author": "Tsuneyuki",
      "year": "1988",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB35",
      "doi-asserted-by": "crossref",
      "first-page": "2055",
      "DOI": "10.1103/PhysRevLett.64.1955",
      "volume": "64",
      "author": "van Beest",
      "year": "1990",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB36",
      "first-page": "392",
      "volume": "20",
      "author": "Purton",
      "year": "1993",
      "journal-title": "Phys. Chem. Miner."
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB37",
      "doi-asserted-by": "crossref",
      "unstructured": "J.A. Tossell, D.J. Vaughan, Theoretical Geochemistry: Applications of Quantum Mechanics in the Earth and Mineral Sciences, Oxford University Press, New York, 1992, pp. 1\u2013514.",
      "DOI": "10.1093/oso/9780195044034.003.0005"
    },
    {
      "key": "10.1016/S1387-1811(98)00313-8_BIB38",
      "doi-asserted-by": "crossref",
      "first-page": "349",
      "DOI": "10.1007/BF02252892",
      "volume": "5",
      "author": "Hill",
      "year": "1995",
      "journal-title": "Struct. Chem."
    }
  ],
  "container-title": "Microporous and Mesoporous Materials",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S1387181198003138?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S1387181198003138?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        5,
        6
      ]
    ],
    "date-time": "2021-05-06T02:54:18Z",
    "timestamp": 1620269658000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S1387181198003138"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1999,
        7
      ]
    ]
  },
  "references-count": 38,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          1999,
          7
        ]
      ]
    }
  },
  "alternative-id": [
    "S1387181198003138"
  ],
  "URL": "http://dx.doi.org/10.1016/S1387-1811(98)00313-8",
  "relation": {},
  "ISSN": [
    "1387-1811"
  ],
  "subject": [],
  "container-title-short": "Microporous and Mesoporous Materials",
  "published": {
    "date-parts": [
      [
        1999,
        7
      ]
    ]
  }
}