DOI: 10.1021/jp060714h. Density-Functional Theory Study of Iron(III) Hydrolysis in Aqueous Solution

Density-Functional Theory Study of Iron(III) Hydrolysis in Aqueous Solution

10.1021/jp060714h

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

De Abreu, H. A., GuimarÃ£es, L., & Duarte, H. A. (2006). Density-Functional Theory Study of Iron(III) Hydrolysis in Aqueous Solution. The Journal of Physical Chemistry A, 110(24), 7713â7718.

Authors 3

Heitor Avelino De Abreu (first)
Luciana Guimarães (additional)
Hélio Anderson Duarte (additional)

References 58 Referenced 57

10.1007/978-3-642-70441-3 / The Importance of Chemical Speciation in Environmental Processes by Bernhard M. (1986)
{'key': 'jp060714hb00002/jp060714hb00002_1', 'volume-title': 'Metal Ions in Biological Systems', 'volume': '14', 'author': 'Sigel H.', 'year': '1982'} / Metal Ions in Biological Systems by Sigel H. (1982)
10.1021/ic049343e / Inorg. Chem. by Dhungana S. (2004)
10.1016/S0301-7516(99)00039-3 / Int. J. Miner. Process. by Osseo-Asare K. (2000)
10.1016/S0016-7037(03)00366-1 / Geochim. Cosmochim. Acta by Pullin M. J. (2003)
10.1016/0016-7037(87)90337-1 / Geochim. Cosmochim. Acta by Moses C. O. (1987)
10.1016/S0301-7516(03)00112-1 / Int. J. Miner. Process. by Caldeira C. L. (2003)
10.1016/S0927-7757(00)00683-X / Colloids Surf. A by Zeng X. (2001)
10.1021/jp037470a / J. Phys. Chem. A by Rosso K. M. (2004)
10.1021/jp963296x / J. Phys. Chem. A by Harris D. (1997)
10.1021/ic001258t / Inorg. Chem. by Kallies B. (2001)
10.1021/jp980229p / J. Phys. Chem. A by Martin R. L. (1998)
{'key': 'jp060714hb00013/jp060714hb00013_1', 'volume-title': 'version 1.1.0', 'author': 'Koester A. M.', 'year': '2004'} / version 1.1.0 by Koester A. M. (2004)
Becke, A. D.Phys. Rev. A: At., Mol., Opt. Phys.1988,38, 3098. (10.1103/PhysRevA.38.3098)
Perdew, J. P.Phys. Rev. B: Condens. Matter1986,33, 8822. (10.1103/PhysRevB.33.8822)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1139/v92-079 / Can. J. Chem. Rev. by Godbout N. (1992)
10.1063/1.463096 / J. Chem. Phys. by Schafer A. (1992)
10.1063/1.475719 / J. Chem. Phys. by Krack M. (1998)
10.1063/1.1759323 / J. Chem. Phys. by Koster A. M. (2004)
10.1093/comjnl/13.3.317 / Comput. J. by Fletcher R. (1970)
10.1093/imamat/6.1.76 / J. Inst. Math. Its Appl. by Broyden C. G. (1970)
10.1090/S0025-5718-1970-0258249-6 / Math. Comput. by Goldfarb D. (1970)
10.1090/S0025-5718-1970-0274029-X / Math. Comput. by Shanno D. F. (1970)
10.1093/imamat/6.3.222 / J. Inst. Math. Its Appl. by Broyden C. G. (1970)
{'key': 'jp060714hb00026/jp060714hb00026_1', 'volume-title': 'Molecular Thermodynamics', 'author': 'McQuarrie D. A.', 'year': '1999'} / Molecular Thermodynamics by McQuarrie D. A. (1999)
10.1016/0009-2614(96)00349-1 / Chem. Phys. Lett. by Cossi M. (1996)
10.1021/cr00031a013 / Chem. Rev. by Tomasi J. (1994)
{'key': 'jp060714hb00029/jp060714hb00029_1', 'volume-title': 'Gaussian 98, revision A.6', 'author': 'Frisch M. J.', 'year': '1998'} / Gaussian 98, revision A.6 by Frisch M. J. (1998)
10.1016/S0009-2614(03)00607-9 / Chem. Phys. Lett. by Saracino G. A. A. (2003)
10.1063/1.474671 / J. Chem. Phys. by Barone V. (1997)
10.1021/jp034855k / J. Phys. Chem. B by Amira S. (2004)
10.1021/jp050186u / J. Phys. Chem. B by Amira S. (2005)
10.1016/S0009-2614(98)00016-5 / Chem. Phys. Lett. by Chang C. M. (1998)
10.1021/jp0499732 / J. Phys. Chem. A by D'Angelo P. (2004)
Herdman, G. J.; Neilson, G. W.J. Phys. Condens. Matter1992,4, 627. (10.1088/0953-8984/4/3/004)
10.1021/jp036418b / J. Phys. Chem. A by Jarzecki A. A. (2004)
10.1021/cr00019a014 / Chem. Rev. by Ohtaki H. (1993)
10.1021/ja984217t / J. Am. Chem. Soc. by Rustad J. R. (1999)
10.1039/dc9827400113 / Faraday Discuss. by Brunschwig B. S. (1982)
10.1021/jp011793u / J. Phys. Chem. A by Kubicki J. D. (2001)
10.1080/01442359009353245 / Int. Rev. Phys. Chem. by Bauschlicher C. W. (1990)
10.1063/1.457241 / J. Chem. Phys. by Sahoo N. (1989)
10.1146/annurev.pc.39.100188.001145 / Ann. Rev. Phys.Chem. by Langhoff S. R. (1988)
10.1021/ic951428f / Inorg. Chem. by Li J. (1996)
10.1021/ic011029m / Inorg. Chem. by Lopes L. (2002)
10.1016/0162-0134(91)84026-6 / J. Inorg. Biochem. by Martin R. B. (1991)
10.1016/j.cplett.2003.11.001 / Chem. Phys. Lett. by De Abreu H. A. (2004)
10.1021/jp981922f / J. Phys. Chem. A by Schuurmann G. (1998)
10.1002/qua.1703 / Int. J. Quantum Chem. by Liptak M. D. (2001)
10.1021/ja010534f / J. Am. Chem. Soc. by Liptak M. D. (2001)
10.1063/1.1337862 / J.Chem. Phys. by Toth A. M. (2001)
10.1021/jp9836473 / J. Phys. Chem. A by da Silva C. O. (1999)
10.1021/ja012474j / J. Am. Chem. Soc. by Liptak M. D. (2002)
10.1021/jp992103d / J. Phys. Chem. A by Silva C. O. (2000)
{'key': 'jp060714hb00056/jp060714hb00056_1', 'volume-title': 'Martell, A. E.; Smith, R. M.; Motekaitis, R. J. NIST:\u2009 Critically Selected Stability Constants of Metal Complexes', 'year': '1997', 'edition': '5'} / Martell, A. E.; Smith, R. M.; Motekaitis, R. J. NIST: Critically Selected Stability Constants of Metal Complexes (1997)
10.1016/S0009-2614(02)01686-X / Chem. Phys. Lett. by Pliego J. R. (2003)
10.1063/1.1344891 / J. Chem. Phys. by Tsuzuki S. (2001)

Dates

Type	When
Created	19 years, 2 months ago (June 10, 2006, 1:33 p.m.)
Deposited	2 years, 6 months ago (March 6, 2023, 1:25 a.m.)
Indexed	1 month, 2 weeks ago (July 22, 2025, 7:08 a.m.)
Issued	19 years, 3 months ago (May 25, 2006)
Published	19 years, 3 months ago (May 25, 2006)
Published Online	19 years, 3 months ago (May 25, 2006)
Published Print	19 years, 3 months ago (June 1, 2006)

Funders 0

None

BibTeX

@article{De_Abreu_2006, title={Density-Functional Theory Study of Iron(III) Hydrolysis in Aqueous Solution}, volume={110}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp060714h}, DOI={10.1021/jp060714h}, number={24}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={De Abreu, Heitor Avelino and Guimarães, Luciana and Duarte, Hélio Anderson}, year={2006}, month=may, pages={7713–7718} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        22
      ]
    ],
    "date-time": "2025-07-22T11:08:54Z",
    "timestamp": 1753182534087
  },
  "reference-count": 58,
  "publisher": "American Chemical Society (ACS)",
  "issue": "24",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2006,
        6,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp060714h",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2006,
        6,
        10
      ]
    ],
    "date-time": "2006-06-10T17:33:59Z",
    "timestamp": 1149960839000
  },
  "page": "7713-7718",
  "source": "Crossref",
  "is-referenced-by-count": 57,
  "title": "Density-Functional Theory Study of Iron(III) Hydrolysis in Aqueous Solution",
  "prefix": "10.1021",
  "volume": "110",
  "author": [
    {
      "given": "Heitor Avelino",
      "family": "De Abreu",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Grupo de Pesquisa em Qu\u00edmica Inorg\u00e2nica Te\u00f3rica, Departamento de Qu\u00edmica, ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31.270-901, Brazil"
        }
      ]
    },
    {
      "given": "Luciana",
      "family": "Guimar\u00e3es",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Grupo de Pesquisa em Qu\u00edmica Inorg\u00e2nica Te\u00f3rica, Departamento de Qu\u00edmica, ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31.270-901, Brazil"
        }
      ]
    },
    {
      "given": "H\u00e9lio Anderson",
      "family": "Duarte",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Grupo de Pesquisa em Qu\u00edmica Inorg\u00e2nica Te\u00f3rica, Departamento de Qu\u00edmica, ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31.270-901, Brazil"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2006,
        5,
        25
      ]
    ]
  },
  "reference": [
    {
      "key": "jp060714hb00001/jp060714hb00001_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1007/978-3-642-70441-3",
      "volume-title": "The Importance of Chemical Speciation in Environmental Processes",
      "author": "Bernhard M.",
      "year": "1986"
    },
    {
      "key": "jp060714hb00002/jp060714hb00002_1",
      "volume-title": "Metal Ions in Biological Systems",
      "volume": "14",
      "author": "Sigel H.",
      "year": "1982"
    },
    {
      "key": "jp060714hb00003/jp060714hb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "6274",
      "DOI": "10.1021/ic049343e",
      "volume": "43",
      "author": "Dhungana S.",
      "year": "2004",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "jp060714hb00004/jp060714hb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "319",
      "DOI": "10.1016/S0301-7516(99)00039-3",
      "volume": "58",
      "author": "Osseo-Asare K.",
      "year": "2000",
      "journal-title": "Int. J. Miner. Process."
    },
    {
      "key": "jp060714hb00005/jp060714hb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "4067",
      "DOI": "10.1016/S0016-7037(03)00366-1",
      "volume": "67",
      "author": "Pullin M. J.",
      "year": "2003",
      "journal-title": "Geochim. Cosmochim. Acta"
    },
    {
      "key": "jp060714hb00006/jp060714hb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "1561",
      "DOI": "10.1016/0016-7037(87)90337-1",
      "volume": "51",
      "author": "Moses C. O.",
      "year": "1987",
      "journal-title": "Geochim. Cosmochim. Acta"
    },
    {
      "key": "jp060714hb00007/jp060714hb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "373",
      "DOI": "10.1016/S0301-7516(03)00112-1",
      "volume": "72",
      "author": "Caldeira C. L.",
      "year": "2003",
      "journal-title": "Int. J. Miner. Process."
    },
    {
      "key": "jp060714hb00008/jp060714hb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "247",
      "DOI": "10.1016/S0927-7757(00)00683-X",
      "volume": "177",
      "author": "Zeng X.",
      "year": "2001",
      "journal-title": "Colloids Surf. A"
    },
    {
      "key": "jp060714hb00009/jp060714hb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "5242",
      "DOI": "10.1021/jp037470a",
      "volume": "108",
      "author": "Rosso K. M.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00010/jp060714hb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "3959",
      "DOI": "10.1021/jp963296x",
      "volume": "101",
      "author": "Harris D.",
      "year": "1997",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00011/jp060714hb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "3101",
      "DOI": "10.1021/ic001258t",
      "volume": "40",
      "author": "Kallies B.",
      "year": "2001",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "jp060714hb00012/jp060714hb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "3565",
      "DOI": "10.1021/jp980229p",
      "volume": "102",
      "author": "Martin R. L.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00013/jp060714hb00013_1",
      "volume-title": "version 1.1.0",
      "author": "Koester A. M.",
      "year": "2004"
    },
    {
      "key": "jp060714hb00014/jp060714hb00014_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Becke, A. D.Phys. Rev. A:\u2009 At., Mol., Opt. Phys.1988,38, 3098.",
      "DOI": "10.1103/PhysRevA.38.3098"
    },
    {
      "key": "jp060714hb00015/jp060714hb00015_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Perdew, J. P.Phys. Rev. B:\u2009 Condens. Matter1986,33, 8822.",
      "DOI": "10.1103/PhysRevB.33.8822"
    },
    {
      "key": "jp060714hb00016/jp060714hb00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "3865",
      "DOI": "10.1103/PhysRevLett.77.3865",
      "volume": "77",
      "author": "Perdew J. P.",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp060714hb00017/jp060714hb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "560",
      "DOI": "10.1139/v92-079",
      "volume": "70",
      "author": "Godbout N.",
      "year": "1992",
      "journal-title": "Can. J. Chem. Rev."
    },
    {
      "key": "jp060714hb00018/jp060714hb00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "2571",
      "DOI": "10.1063/1.463096",
      "volume": "97",
      "author": "Schafer A.",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp060714hb00019/jp060714hb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "3226",
      "DOI": "10.1063/1.475719",
      "volume": "108",
      "author": "Krack M.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp060714hb00020/jp060714hb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "681",
      "DOI": "10.1063/1.1759323",
      "volume": "121",
      "author": "Koster A. M.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp060714hb00021/jp060714hb00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "317",
      "DOI": "10.1093/comjnl/13.3.317",
      "volume": "13",
      "author": "Fletcher R.",
      "year": "1970",
      "journal-title": "Comput. J."
    },
    {
      "key": "jp060714hb00022/jp060714hb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "76",
      "DOI": "10.1093/imamat/6.1.76",
      "volume": "6",
      "author": "Broyden C. G.",
      "year": "1970",
      "journal-title": "J. Inst. Math. Its Appl."
    },
    {
      "key": "jp060714hb00023/jp060714hb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "23",
      "DOI": "10.1090/S0025-5718-1970-0258249-6",
      "volume": "24",
      "author": "Goldfarb D.",
      "year": "1970",
      "journal-title": "Math. Comput."
    },
    {
      "key": "jp060714hb00024/jp060714hb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "647",
      "DOI": "10.1090/S0025-5718-1970-0274029-X",
      "volume": "24",
      "author": "Shanno D. F.",
      "year": "1970",
      "journal-title": "Math. Comput."
    },
    {
      "key": "jp060714hb00025/jp060714hb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "222",
      "DOI": "10.1093/imamat/6.3.222",
      "volume": "6",
      "author": "Broyden C. G.",
      "year": "1970",
      "journal-title": "J. Inst. Math. Its Appl."
    },
    {
      "key": "jp060714hb00026/jp060714hb00026_1",
      "volume-title": "Molecular Thermodynamics",
      "author": "McQuarrie D. A.",
      "year": "1999"
    },
    {
      "key": "jp060714hb00027/jp060714hb00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "327",
      "DOI": "10.1016/0009-2614(96)00349-1",
      "volume": "255",
      "author": "Cossi M.",
      "year": "1996",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp060714hb00028/jp060714hb00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "2027",
      "DOI": "10.1021/cr00031a013",
      "volume": "94",
      "author": "Tomasi J.",
      "year": "1994",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp060714hb00029/jp060714hb00029_1",
      "volume-title": "Gaussian 98, revision A.6",
      "author": "Frisch M. J.",
      "year": "1998"
    },
    {
      "key": "jp060714hb00030/jp060714hb00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "411",
      "DOI": "10.1016/S0009-2614(03)00607-9",
      "volume": "373",
      "author": "Saracino G. A. A.",
      "year": "2003",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp060714hb00031/jp060714hb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "3210",
      "DOI": "10.1063/1.474671",
      "volume": "107",
      "author": "Barone V.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp060714hb00032/jp060714hb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "496",
      "DOI": "10.1021/jp034855k",
      "volume": "108",
      "author": "Amira S.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp060714hb00033/jp060714hb00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "14235",
      "DOI": "10.1021/jp050186u",
      "volume": "109",
      "author": "Amira S.",
      "year": "2005",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp060714hb00034/jp060714hb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "46",
      "DOI": "10.1016/S0009-2614(98)00016-5",
      "volume": "286",
      "author": "Chang C. M.",
      "year": "1998",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp060714hb00035/jp060714hb00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "4505",
      "DOI": "10.1021/jp0499732",
      "volume": "108",
      "author": "D'Angelo P.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00036/jp060714hb00036_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Herdman, G. J.; Neilson, G. W.J. Phys.\u2009 Condens. Matter1992,4, 627.",
      "DOI": "10.1088/0953-8984/4/3/004"
    },
    {
      "key": "jp060714hb00037/jp060714hb00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "2726",
      "DOI": "10.1021/jp036418b",
      "volume": "108",
      "author": "Jarzecki A. A.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00038/jp060714hb00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "1157",
      "DOI": "10.1021/cr00019a014",
      "volume": "93",
      "author": "Ohtaki H.",
      "year": "1993",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp060714hb00039/jp060714hb00039_1",
      "doi-asserted-by": "crossref",
      "first-page": "3234",
      "DOI": "10.1021/ja984217t",
      "volume": "121",
      "author": "Rustad J. R.",
      "year": "1999",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp060714hb00040/jp060714hb00040_1",
      "doi-asserted-by": "crossref",
      "first-page": "113",
      "DOI": "10.1039/dc9827400113",
      "author": "Brunschwig B. S.",
      "year": "1982",
      "journal-title": "Faraday Discuss."
    },
    {
      "key": "jp060714hb00041/jp060714hb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "8756",
      "DOI": "10.1021/jp011793u",
      "volume": "105",
      "author": "Kubicki J. D.",
      "year": "2001",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00042/jp060714hb00042_1",
      "doi-asserted-by": "crossref",
      "first-page": "149",
      "DOI": "10.1080/01442359009353245",
      "volume": "9",
      "author": "Bauschlicher C. W.",
      "year": "1990",
      "journal-title": "Int. Rev. Phys. Chem."
    },
    {
      "key": "jp060714hb00043/jp060714hb00043_1",
      "doi-asserted-by": "crossref",
      "first-page": "7740",
      "DOI": "10.1063/1.457241",
      "volume": "91",
      "author": "Sahoo N.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp060714hb00044/jp060714hb00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "181",
      "DOI": "10.1146/annurev.pc.39.100188.001145",
      "volume": "39",
      "author": "Langhoff S. R.",
      "year": "1988",
      "journal-title": "Ann. Rev. Phys.Chem."
    },
    {
      "key": "jp060714hb00045/jp060714hb00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "4694",
      "DOI": "10.1021/ic951428f",
      "volume": "35",
      "author": "Li J.",
      "year": "1996",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "jp060714hb00046/jp060714hb00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "2505",
      "DOI": "10.1021/ic011029m",
      "volume": "41",
      "author": "Lopes L.",
      "year": "2002",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "jp060714hb00047/jp060714hb00047_1",
      "doi-asserted-by": "crossref",
      "first-page": "141",
      "DOI": "10.1016/0162-0134(91)84026-6",
      "volume": "44",
      "author": "Martin R. B.",
      "year": "1991",
      "journal-title": "J. Inorg. Biochem."
    },
    {
      "key": "jp060714hb00048/jp060714hb00048_1",
      "doi-asserted-by": "crossref",
      "first-page": "47",
      "DOI": "10.1016/j.cplett.2003.11.001",
      "volume": "383",
      "author": "De Abreu H. A.",
      "year": "2004",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp060714hb00049/jp060714hb00049_1",
      "doi-asserted-by": "crossref",
      "first-page": "6706",
      "DOI": "10.1021/jp981922f",
      "volume": "102",
      "author": "Schuurmann G.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00050/jp060714hb00050_1",
      "doi-asserted-by": "crossref",
      "first-page": "727",
      "DOI": "10.1002/qua.1703",
      "volume": "85",
      "author": "Liptak M. D.",
      "year": "2001",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp060714hb00051/jp060714hb00051_1",
      "doi-asserted-by": "crossref",
      "first-page": "7314",
      "DOI": "10.1021/ja010534f",
      "volume": "123",
      "author": "Liptak M. D.",
      "year": "2001",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp060714hb00052/jp060714hb00052_1",
      "doi-asserted-by": "crossref",
      "first-page": "4595",
      "DOI": "10.1063/1.1337862",
      "volume": "114",
      "author": "Toth A. M.",
      "year": "2001",
      "journal-title": "J.Chem. Phys."
    },
    {
      "key": "jp060714hb00053/jp060714hb00053_1",
      "doi-asserted-by": "crossref",
      "first-page": "11194",
      "DOI": "10.1021/jp9836473",
      "volume": "103",
      "author": "da Silva C. O.",
      "year": "1999",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00054/jp060714hb00054_1",
      "doi-asserted-by": "crossref",
      "first-page": "6421",
      "DOI": "10.1021/ja012474j",
      "volume": "124",
      "author": "Liptak M. D.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp060714hb00055/jp060714hb00055_1",
      "doi-asserted-by": "crossref",
      "first-page": "2402",
      "DOI": "10.1021/jp992103d",
      "volume": "104",
      "author": "Silva C. O.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp060714hb00056/jp060714hb00056_1",
      "volume-title": "Martell, A. E.; Smith, R. M.; Motekaitis, R. J. NIST:\u2009 Critically Selected Stability Constants of Metal Complexes",
      "year": "1997",
      "edition": "5"
    },
    {
      "key": "jp060714hb00057/jp060714hb00057_1",
      "doi-asserted-by": "crossref",
      "first-page": "145",
      "DOI": "10.1016/S0009-2614(02)01686-X",
      "volume": "367",
      "author": "Pliego J. R.",
      "year": "2003",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp060714hb00058/jp060714hb00058_1",
      "doi-asserted-by": "crossref",
      "first-page": "3949",
      "DOI": "10.1063/1.1344891",
      "volume": "114",
      "author": "Tsuzuki S.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    }
  ],
  "container-title": "The Journal of Physical Chemistry A",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp060714h",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        3,
        6
      ]
    ],
    "date-time": "2023-03-06T06:25:29Z",
    "timestamp": 1678083929000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp060714h"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2006,
        5,
        25
      ]
    ]
  },
  "references-count": 58,
  "journal-issue": {
    "issue": "24",
    "published-print": {
      "date-parts": [
        [
          2006,
          6,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp060714h"
  ],
  "URL": "http://dx.doi.org/10.1021/jp060714h",
  "relation": {},
  "ISSN": [
    "1089-5639",
    "1520-5215"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. A",
  "published": {
    "date-parts": [
      [
        2006,
        5,
        25
      ]
    ]
  }
}