DOI: 10.1016/0039-6028(95)01352-0. Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density

Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density

10.1016/0039-6028(95)01352-0

Crossref journal-article

Elsevier BV

Surface Science (78)

Bibliography

Aray, Y., & Bader, R. F. W. (1996). Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density. Surface Science, 351(1â3), 233â249.

Authors 2

Y. Aray (first)
R.F.W. Bader (additional)

References 43 Referenced 29

10.1016/0039-6028(84)90678-2 / Surf. Sci. by Colbourn (1984)
10.1021/ja00102a033 / J. Am. Chem. Soc. by Aray (1994)
10.1021/j100134a006 / J. Phys. Chem. by Aray (1993)
{'key': '10.1016/0039-6028(95)01352-0_BIB4', 'first-page': '54', 'volume': '12', 'author': 'Tasker', 'year': '1981', 'journal-title': 'J. Phys. C: Solid State Phys.'} / J. Phys. C: Solid State Phys. by Tasker (1981)
10.1103/PhysRevB.19.6593 / Phys. Rev. B by Martin (1979)
10.1088/0022-3719/9/14/008 / J. Phys. C: Solid State Phys. by Kinniburg (1976)
10.1088/0022-3719/15/27/024 / J. Phys. C: Solid St. Phys. by Welton-Cook (1982)
10.1016/0039-6028(84)90678-2 / Surf. Sci. by Tasker (1984)
10.1016/0167-5729(92)90013-2 / Surf. Sci. Rep. by Colburn (1992)
10.1039/dc9858000183 / Faraday Disc. Chem. Soc. by Escalona-Platero (1985)
10.1007/BF02077036 / React. Kin. Catal. Lett. by Paukshtis (1981)
10.1039/f19757101476 / J. Chem. Soc. Faraday Trans I by Zecchina (1975)
10.1039/f19787402278 / J. Chem. Soc. Faraday Trans I by Zecchina (1978)
10.1039/f19837901373 / J. Chem. Soc. Faraday Trans I by Wang (1983)
10.1103/PhysRevB.41.3786 / Phys. Rev. B by Huzimura (1990)
10.1016/0039-6028(82)90539-8 / Surf. Sci. by Colburn (1982)
10.1016/0039-6028(83)90756-2 / Surf. Sci. by Colburn (1983)
10.1016/0039-6028(84)90549-1 / Surf. Sci. by Colburn (1984)
10.1016/S0039-6028(87)80048-1 / Surf. Sci. by Dovesi (1987)
10.1088/0022-3719/20/30/021 / J. Phys. C: Solid State Phys. by Causa (1987)
10.1103/PhysRevB.36.6145 / Phys. Rev. B by Matsummura (1987)
10.1021/ja00214a009 / J. Am. Chem. Soc. by Mehandru (1988)
R. Dovesi, V.R. Saunders and C. Roetti, CRYSTAL 92; Theoretical Chemistry Group: University of Turin, Italy and SERC, Daresbury Laboratory, UK, 1992.
10.1088/0022-3719/20/30/020 / J. Phys. C: Solid State Phys. by Causa (1987)
10.1016/0039-6028(86)90012-9 / Surf. Sci. by Causa (1986)
10.1103/PhysRevB.33.1308 / Phys. Rev. B by Causa (1986)
10.1016/0038-1098(85)91148-2 / Solid State Comm. by Dovesi (1985)
10.1016/0301-0104(91)87032-Q / Chem. Phys. by Dovesi (1991)
{'key': '10.1016/0039-6028(95)01352-0_BIB27', 'article-title': 'Hartree-Fock ab Initio Treatment of Crystalline Systems', 'volume': '48', 'author': 'Pisani', 'year': '1988'} / Hartree-Fock ab Initio Treatment of Crystalline Systems by Pisani (1988)
10.1063/1.467882 / J. Chem. Phys. by Gatti (1994)
M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. DeFrees, J. Baker, J.J.P. Stewart and J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 1992. (10.1021/j100180a030)
10.1021/j100180a030 / J. Phys. Chem. by Forseman (1992)
10.1002/jcc.540030306 / J. Comp. Chem. by Biegler-König (1982)
{'key': '10.1016/0039-6028(95)01352-0_BIB32', 'series-title': 'Atoms in Molecules — A Quantum Theory', 'author': 'Bader', 'year': '1990'} / Atoms in Molecules — A Quantum Theory by Bader (1990)
10.1107/S0108767394003740 / Acta Cryst. A by Zou (1994)
10.1107/S0108767394009463 / Acta Cryst. A by Tsirelson (1995)
10.1016/0079-6816(91)90012-S / Progr. Surf. Sci. by Eberhart (1991)
10.1557/JMR.1993.0438 / J. Mater. Res. by Eberhart (1993)
{'key': '10.1016/0039-6028(95)01352-0_BIB37', 'volume': 'Vol A', 'author': 'Hahn', 'year': '1983'} by Hahn (1983)
10.1103/PhysRevB.49.13348 / Phys. Rev. B by Bader (1994)
10.1080/00268978800100281 / Mol. Phys. by Carroll (1988)
10.1039/TF9696502206 / Trans. Far. Soc. by Gevirzman (1969)
10.1021/j100126a009 / J. Phys. Chem. by Bo (1993)

Dates

Type	When
Created	22 years, 3 months ago (May 12, 2003, 11:34 p.m.)
Deposited	6 years, 4 months ago (April 29, 2019, 7:20 a.m.)
Indexed	1 year, 6 months ago (Feb. 6, 2024, 3:24 p.m.)
Issued	29 years, 4 months ago (May 1, 1996)
Published	29 years, 4 months ago (May 1, 1996)
Published Print	29 years, 4 months ago (May 1, 1996)

Funders 0

None

BibTeX

@article{Aray_1996, title={Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density}, volume={351}, ISSN={0039-6028}, url={http://dx.doi.org/10.1016/0039-6028(95)01352-0}, DOI={10.1016/0039-6028(95)01352-0}, number={1–3}, journal={Surface Science}, publisher={Elsevier BV}, author={Aray, Y. and Bader, R.F.W.}, year={1996}, month=may, pages={233–249} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        6
      ]
    ],
    "date-time": "2024-02-06T20:24:28Z",
    "timestamp": 1707251068819
  },
  "reference-count": 43,
  "publisher": "Elsevier BV",
  "issue": "1-3",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1996,
            5,
            1
          ]
        ],
        "date-time": "1996-05-01T00:00:00Z",
        "timestamp": 830908800000
      },
      "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": [
      [
        1996,
        5
      ]
    ]
  },
  "DOI": "10.1016/0039-6028(95)01352-0",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        5,
        13
      ]
    ],
    "date-time": "2003-05-13T03:34:06Z",
    "timestamp": 1052796846000
  },
  "page": "233-249",
  "source": "Crossref",
  "is-referenced-by-count": 29,
  "title": "Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density",
  "prefix": "10.1016",
  "volume": "351",
  "author": [
    {
      "given": "Y.",
      "family": "Aray",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "R.F.W.",
      "family": "Bader",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB1",
      "doi-asserted-by": "crossref",
      "first-page": "91",
      "DOI": "10.1016/0039-6028(84)90678-2",
      "volume": "137",
      "author": "Colbourn",
      "year": "1984",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB2",
      "doi-asserted-by": "crossref",
      "first-page": "10639",
      "DOI": "10.1021/ja00102a033",
      "volume": "116",
      "author": "Aray",
      "year": "1994",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB3",
      "doi-asserted-by": "crossref",
      "first-page": "8393",
      "DOI": "10.1021/j100134a006",
      "volume": "97",
      "author": "Aray",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB4",
      "first-page": "54",
      "volume": "12",
      "author": "Tasker",
      "year": "1981",
      "journal-title": "J. Phys. C: Solid State Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB5_1",
      "doi-asserted-by": "crossref",
      "first-page": "6593",
      "DOI": "10.1103/PhysRevB.19.6593",
      "volume": "19",
      "author": "Martin",
      "year": "1979",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB5_2",
      "doi-asserted-by": "crossref",
      "first-page": "2695",
      "DOI": "10.1088/0022-3719/9/14/008",
      "volume": "9",
      "author": "Kinniburg",
      "year": "1976",
      "journal-title": "J. Phys. C: Solid State Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB5_3",
      "doi-asserted-by": "crossref",
      "first-page": "5691",
      "DOI": "10.1088/0022-3719/15/27/024",
      "volume": "15",
      "author": "Welton-Cook",
      "year": "1982",
      "journal-title": "J. Phys. C: Solid St. Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "91",
      "DOI": "10.1016/0039-6028(84)90678-2",
      "volume": "137",
      "author": "Tasker",
      "year": "1984",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB7",
      "doi-asserted-by": "crossref",
      "first-page": "281",
      "DOI": "10.1016/0167-5729(92)90013-2",
      "volume": "15",
      "author": "Colburn",
      "year": "1992",
      "journal-title": "Surf. Sci. Rep."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB8",
      "doi-asserted-by": "crossref",
      "first-page": "183",
      "DOI": "10.1039/dc9858000183",
      "volume": "80",
      "author": "Escalona-Platero",
      "year": "1985",
      "journal-title": "Faraday Disc. Chem. Soc."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB9",
      "doi-asserted-by": "crossref",
      "first-page": "93",
      "DOI": "10.1007/BF02077036",
      "volume": "16",
      "author": "Paukshtis",
      "year": "1981",
      "journal-title": "React. Kin. Catal. Lett."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB10",
      "doi-asserted-by": "crossref",
      "first-page": "1476",
      "DOI": "10.1039/f19757101476",
      "volume": "71",
      "author": "Zecchina",
      "year": "1975",
      "journal-title": "J. Chem. Soc. Faraday Trans I"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "2278",
      "DOI": "10.1039/f19787402278",
      "volume": "74",
      "author": "Zecchina",
      "year": "1978",
      "journal-title": "J. Chem. Soc. Faraday Trans I"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB12",
      "doi-asserted-by": "crossref",
      "first-page": "1373",
      "DOI": "10.1039/f19837901373",
      "volume": "79",
      "author": "Wang",
      "year": "1983",
      "journal-title": "J. Chem. Soc. Faraday Trans I"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB13",
      "doi-asserted-by": "crossref",
      "first-page": "3786",
      "DOI": "10.1103/PhysRevB.41.3786",
      "volume": "41",
      "author": "Huzimura",
      "year": "1990",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB14",
      "doi-asserted-by": "crossref",
      "first-page": "571",
      "DOI": "10.1016/0039-6028(82)90539-8",
      "volume": "117",
      "author": "Colburn",
      "year": "1982",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB15",
      "doi-asserted-by": "crossref",
      "first-page": "550",
      "DOI": "10.1016/0039-6028(83)90756-2",
      "volume": "126",
      "author": "Colburn",
      "year": "1983",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB16",
      "doi-asserted-by": "crossref",
      "first-page": "391",
      "DOI": "10.1016/0039-6028(84)90549-1",
      "volume": "143",
      "author": "Colburn",
      "year": "1984",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "267",
      "DOI": "10.1016/S0039-6028(87)80048-1",
      "volume": "186",
      "author": "Dovesi",
      "year": "1987",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB18",
      "doi-asserted-by": "crossref",
      "first-page": "4991",
      "DOI": "10.1088/0022-3719/20/30/021",
      "volume": "20",
      "author": "Causa",
      "year": "1987",
      "journal-title": "J. Phys. C: Solid State Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB19",
      "doi-asserted-by": "crossref",
      "first-page": "6145",
      "DOI": "10.1103/PhysRevB.36.6145",
      "volume": "36",
      "author": "Matsummura",
      "year": "1987",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB20",
      "doi-asserted-by": "crossref",
      "first-page": "1715",
      "DOI": "10.1021/ja00214a009",
      "volume": "110",
      "author": "Mehandru",
      "year": "1988",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB21",
      "unstructured": "R. Dovesi, V.R. Saunders and C. Roetti, CRYSTAL 92; Theoretical Chemistry Group: University of Turin, Italy and SERC, Daresbury Laboratory, UK, 1992."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB22",
      "doi-asserted-by": "crossref",
      "first-page": "4983",
      "DOI": "10.1088/0022-3719/20/30/020",
      "volume": "20",
      "author": "Causa",
      "year": "1987",
      "journal-title": "J. Phys. C: Solid State Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB23",
      "doi-asserted-by": "crossref",
      "first-page": "551",
      "DOI": "10.1016/0039-6028(86)90012-9",
      "volume": "175",
      "author": "Causa",
      "year": "1986",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB24",
      "doi-asserted-by": "crossref",
      "first-page": "1308",
      "DOI": "10.1103/PhysRevB.33.1308",
      "volume": "33",
      "author": "Causa",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB25",
      "doi-asserted-by": "crossref",
      "first-page": "183",
      "DOI": "10.1016/0038-1098(85)91148-2",
      "volume": "54",
      "author": "Dovesi",
      "year": "1985",
      "journal-title": "Solid State Comm."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "11",
      "DOI": "10.1016/0301-0104(91)87032-Q",
      "volume": "156",
      "author": "Dovesi",
      "year": "1991",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB27",
      "article-title": "Hartree-Fock ab Initio Treatment of Crystalline Systems",
      "volume": "48",
      "author": "Pisani",
      "year": "1988"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB28",
      "doi-asserted-by": "crossref",
      "first-page": "10686",
      "DOI": "10.1063/1.467882",
      "volume": "101",
      "author": "Gatti",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB29",
      "doi-asserted-by": "crossref",
      "unstructured": "M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. DeFrees, J. Baker, J.J.P. Stewart and J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 1992.",
      "DOI": "10.1021/j100180a030"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB30",
      "doi-asserted-by": "crossref",
      "first-page": "135",
      "DOI": "10.1021/j100180a030",
      "volume": "96",
      "author": "Forseman",
      "year": "1992",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB31",
      "doi-asserted-by": "crossref",
      "first-page": "317",
      "DOI": "10.1002/jcc.540030306",
      "volume": "13",
      "author": "Biegler-K\u00f6nig",
      "year": "1982",
      "journal-title": "J. Comp. Chem."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB32",
      "series-title": "Atoms in Molecules \u2014 A Quantum Theory",
      "author": "Bader",
      "year": "1990"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB33",
      "doi-asserted-by": "crossref",
      "first-page": "714",
      "DOI": "10.1107/S0108767394003740",
      "volume": "50",
      "author": "Zou",
      "year": "1994",
      "journal-title": "Acta Cryst. A"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB34",
      "doi-asserted-by": "crossref",
      "first-page": "143",
      "DOI": "10.1107/S0108767394009463",
      "volume": "51",
      "author": "Tsirelson",
      "year": "1995",
      "journal-title": "Acta Cryst. A"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB35",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0079-6816(91)90012-S",
      "volume": "3",
      "author": "Eberhart",
      "year": "1991",
      "journal-title": "Progr. Surf. Sci."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB36",
      "doi-asserted-by": "crossref",
      "first-page": "438",
      "DOI": "10.1557/JMR.1993.0438",
      "volume": "8",
      "author": "Eberhart",
      "year": "1993",
      "journal-title": "J. Mater. Res."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB37",
      "volume": "Vol A",
      "author": "Hahn",
      "year": "1983"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB38",
      "doi-asserted-by": "crossref",
      "first-page": "13348",
      "DOI": "10.1103/PhysRevB.49.13348",
      "volume": "49",
      "author": "Bader",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB39",
      "doi-asserted-by": "crossref",
      "first-page": "387",
      "DOI": "10.1080/00268978800100281",
      "volume": "63",
      "author": "Carroll",
      "year": "1988",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB40",
      "doi-asserted-by": "crossref",
      "first-page": "2206",
      "DOI": "10.1039/TF9696502206",
      "volume": "65",
      "author": "Gevirzman",
      "year": "1969",
      "journal-title": "Trans. Far. Soc."
    },
    {
      "key": "10.1016/0039-6028(95)01352-0_BIB41",
      "doi-asserted-by": "crossref",
      "first-page": "6362",
      "DOI": "10.1021/j100126a009",
      "volume": "97",
      "author": "Bo",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    }
  ],
  "container-title": "Surface Science",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:0039602895013520?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:0039602895013520?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2019,
        4,
        29
      ]
    ],
    "date-time": "2019-04-29T11:20:00Z",
    "timestamp": 1556536800000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/0039602895013520"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1996,
        5
      ]
    ]
  },
  "references-count": 43,
  "journal-issue": {
    "issue": "1-3",
    "published-print": {
      "date-parts": [
        [
          1996,
          5
        ]
      ]
    }
  },
  "alternative-id": [
    "0039602895013520"
  ],
  "URL": "http://dx.doi.org/10.1016/0039-6028(95)01352-0",
  "relation": {},
  "ISSN": [
    "0039-6028"
  ],
  "subject": [],
  "container-title-short": "Surface Science",
  "published": {
    "date-parts": [
      [
        1996,
        5
      ]
    ]
  }
}