DOI: 10.1021/jp035869t. Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories

Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories

10.1021/jp035869t

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Xu, X., & Goddard, W. A. (2004). Bonding Properties of the Water Dimer:â A Comparative Study of Density Functional Theories. The Journal of Physical Chemistry A, 108(12), 2305â2313.

Authors 2

Xin Xu (first)
William A. Goddard (additional)

References 50 Referenced 175

10.1039/a910312k / Phys. Chem. Chem. Phys. by Klopper W. (2000)
10.1073/pnas.0308730100 / III Proc. Natl. Acad. Sci. USA by Xu X. (2004)
10.1103/PhysRev.81.385 / Phys. Rev. by Slater J. C. (1951)
10.1139/p80-159 / Can. J. Phys. by Vosko S. H. (1988)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. T. (1988)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
10.1103/PhysRevB.33.8800 / Phys. Rev. B by Perdew J. P. (1986)
10.1103/PhysRevB.23.5048 / Phys. Rev. B by Perdew J. P. (1981)
{'key': 'jp035869tb00010/jp035869tb00010_1', 'volume-title': 'Electronic Structure Theory of Solids', 'author': 'Perdew J.', 'year': '1991'} / Electronic Structure Theory of Solids by Perdew J. (1991)
10.1103/PhysRevB.45.13244 / Phys. Rev. B by Perdew J. P. (1992)
10.1063/1.475428 / J. Chem. Phys. by Adamo C. (1998)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1063/1.478401 / J. Chem. Phys. by Ernzerhof M. (1999)
10.1016/0009-2614(94)01402-H / Chem. Phys. Lett. by Pérez-Jordá J. M. (1995)
10.1016/0009-2614(94)01027-7 / Chem. Phys. Lett. by Kristyan S. (1994)
10.1063/1.1476932 / J. Chem. Phys. by Goldman N. (2002)
Jaguar4.0; Schrödinger Inc. Portland, OR, 2000.
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H., Jr. (1989)
10.1063/1.462569 / J. Chem. Phys. by Kendall R. A. (1992)
10.1021/jp9842188 / J. Phys. Chem. A by Simon S. (1999)
10.1007/s002140050248 / Theor. Chem. Acc. by Halkier A. (1997)
10.1080/00268977000101561 / Mol. Phys. by Boys S. F. (1970)
10.1063/1.1408302 / J. Chem. Phys. by Tschumper G. S. (2002)
10.1063/1.1742731 / J. Chem. Phys. by Benedict W. S. (1956)
{'key': 'jp035869tb00026/jp035869tb00026_1', 'first-page': '159', 'volume': '59', 'author': 'Hoy A. R.', 'year': '1975', 'journal-title': 'J. Mol. Spectrosc.'} / J. Mol. Spectrosc. by Hoy A. R. (1975)
10.1016/0022-2852(74)90261-6 / J. Mol. Spectrosc. by Cook R. L. (1975)
{'key': 'jp035869tb00028/jp035869tb00028_1', 'first-page': '1521', 'volume': '38', 'author': 'Kuchitsu K.', 'year': '1965', 'journal-title': 'Bull. Chem. Soc. Jpn.'} / Bull. Chem. Soc. Jpn. by Kuchitsu K. (1965)
10.1063/1.1680187 / J. Chem. Phys. by Dyke T. R. (1973)
10.1016/0301-0104(80)80079-6 / Chem. Phys. by John I. J. (1980)
10.1063/1.434794 / J. Chem. Phys. by Murphy W. F. (1977)
Koch, W.; Holthausen, M. C.A Chemist's Guide to Density FunctionalTheory; Wiley-VCH: Weinheim, Germany, 2000; pp 217−226.
10.1063/1.439795 / J. Chem. Phys. by Odutola J. A. (1980)
10.1063/1.433969 / J. Chem. Phys. by Fredin L. (1977)
10.1063/1.437026 / J. Chem. Phys. by Nelander B. (1978)
10.1016/0022-2852(80)90031-4 / J. Mol. Spectrosc. by Bentwood R. M. (1980)
10.1063/1.1673163 / J. Chem. Phys. by Tursi A. J. (1970)
10.1063/1.438628 / J. Chem. Phys. by Curtiss L. A. (1979)
10.1021/jp952860l / J. Phys. Chem. by Feyerersen M. W. (1996)
10.1021/jp950696w / J. Phys. Chem. by Estrin D. A. (1996)
10.1021/j100091a024 / J. Phys. Chem. by Kim K. (1994)
10.1039/a902109d / Phys. Chem. Chem. Phys. by Hobza P. (1999)
10.1063/1.450390 / III J. Chem. Phys. by Frisch M. J. (1986)
10.1016/0009-2614(95)00393-I / Chem. Phys. Lett. by Bleiber A. (1995)
10.1063/1.457983 / J. Chem. Phys. by Smith B. J. (1990)
10.1080/00268970210142648 / J. Mol. Phys. by Taketsugu T. (2002)
10.1063/1.1423940 / J. Chem. Phys. by Burnham C. J. (2002)
10.1039/b205307a / Phys. Chem. Chem. Phys. by van Duijneveldt (2003)
10.1016/0022-2852(88)90286-X / J. Mol. Spectrosc. by Coudert L. H. (1988)
10.1080/002689797169943 / Mol. Phys. by Mok D. K. W. (1997)

Dates

Type	When
Created	21 years, 5 months ago (March 18, 2004, 12:45 a.m.)
Deposited	3 years, 10 months ago (Oct. 12, 2021, 5:22 a.m.)
Indexed	2 months, 2 weeks ago (June 6, 2025, 1:05 a.m.)
Issued	21 years, 5 months ago (March 1, 2004)
Published	21 years, 5 months ago (March 1, 2004)
Published Online	21 years, 5 months ago (March 2, 2004)
Published Print	21 years, 5 months ago (March 1, 2004)

Funders 0

None

BibTeX

@article{Xu_2004, title={Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories}, volume={108}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp035869t}, DOI={10.1021/jp035869t}, number={12}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Xu, Xin and Goddard, William A.}, year={2004}, month=mar, pages={2305–2313} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        6
      ]
    ],
    "date-time": "2025-06-06T05:05:37Z",
    "timestamp": 1749186337747
  },
  "reference-count": 50,
  "publisher": "American Chemical Society (ACS)",
  "issue": "12",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2004,
        3,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp035869t",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        3,
        18
      ]
    ],
    "date-time": "2004-03-18T05:45:41Z",
    "timestamp": 1079588741000
  },
  "page": "2305-2313",
  "source": "Crossref",
  "is-referenced-by-count": 175,
  "title": "Bonding Properties of the Water Dimer:\u2009 A Comparative Study of Density Functional Theories",
  "prefix": "10.1021",
  "volume": "108",
  "author": [
    {
      "given": "Xin",
      "family": "Xu",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, California 91125"
        }
      ]
    },
    {
      "given": "William A.",
      "family": "Goddard",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, California 91125"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2004,
        3,
        2
      ]
    ]
  },
  "reference": [
    {
      "key": "jp035869tb00001/jp035869tb00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "2227",
      "DOI": "10.1039/a910312k",
      "volume": "2",
      "author": "Klopper W.",
      "year": "2000",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "jp035869tb00002/jp035869tb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "2673",
      "DOI": "10.1073/pnas.0308730100",
      "volume": "101",
      "author": "Xu X.",
      "year": "2004",
      "journal-title": "III Proc. Natl. Acad. Sci. USA"
    },
    {
      "key": "jp035869tb00003/jp035869tb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "385",
      "DOI": "10.1103/PhysRev.81.385",
      "volume": "81",
      "author": "Slater J. C.",
      "year": "1951",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "jp035869tb00004/jp035869tb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1139/p80-159",
      "volume": "58",
      "author": "Vosko S. H.",
      "year": "1988",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "jp035869tb00005/jp035869tb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "785",
      "DOI": "10.1103/PhysRevB.37.785",
      "volume": "37",
      "author": "Lee C. T.",
      "year": "1988",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp035869tb00006/jp035869tb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "5648",
      "DOI": "10.1063/1.464913",
      "volume": "98",
      "author": "Becke A. D.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00007/jp035869tb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "3098",
      "DOI": "10.1103/PhysRevA.38.3098",
      "volume": "38",
      "author": "Becke A. D.",
      "year": "1988",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp035869tb00008/jp035869tb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "8800",
      "DOI": "10.1103/PhysRevB.33.8800",
      "volume": "33",
      "author": "Perdew J. P.",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp035869tb00009/jp035869tb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "5048",
      "DOI": "10.1103/PhysRevB.23.5048",
      "volume": "23",
      "author": "Perdew J. P.",
      "year": "1981",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp035869tb00010/jp035869tb00010_1",
      "volume-title": "Electronic Structure Theory of Solids",
      "author": "Perdew J.",
      "year": "1991"
    },
    {
      "key": "jp035869tb00011/jp035869tb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "13244",
      "DOI": "10.1103/PhysRevB.45.13244",
      "volume": "45",
      "author": "Perdew J. P.",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp035869tb00012/jp035869tb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "664",
      "DOI": "10.1063/1.475428",
      "volume": "108",
      "author": "Adamo C.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00013/jp035869tb00013_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": "jp035869tb00014/jp035869tb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "5029",
      "DOI": "10.1063/1.478401",
      "volume": "110",
      "author": "Ernzerhof M.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00015/jp035869tb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "134",
      "DOI": "10.1016/0009-2614(94)01402-H",
      "volume": "233",
      "author": "P\u00e9rez-Jord\u00e1 J. M.",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp035869tb00016/jp035869tb00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "175",
      "DOI": "10.1016/0009-2614(94)01027-7",
      "volume": "229",
      "author": "Kristyan S.",
      "year": "1994",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp035869tb00017/jp035869tb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "10148",
      "DOI": "10.1063/1.1476932",
      "volume": "116",
      "author": "Goldman N.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00018/jp035869tb00018_1",
      "unstructured": "Jaguar4.0; Schr\u00f6dinger Inc.\u2009 Portland, OR, 2000."
    },
    {
      "key": "jp035869tb00019/jp035869tb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "1007",
      "DOI": "10.1063/1.456153",
      "volume": "90",
      "author": "Dunning T. H., Jr.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00020/jp035869tb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "6796",
      "DOI": "10.1063/1.462569",
      "volume": "96",
      "author": "Kendall R. A.",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00021/jp035869tb00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "1640",
      "DOI": "10.1021/jp9842188",
      "volume": "103",
      "author": "Simon S.",
      "year": "1999",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp035869tb00022/jp035869tb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "150",
      "DOI": "10.1007/s002140050248",
      "volume": "97",
      "author": "Halkier A.",
      "year": "1997",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "jp035869tb00023/jp035869tb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "553",
      "DOI": "10.1080/00268977000101561",
      "volume": "19",
      "author": "Boys S. F.",
      "year": "1970",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "jp035869tb00024/jp035869tb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "690",
      "DOI": "10.1063/1.1408302",
      "volume": "116",
      "author": "Tschumper G. S.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00025/jp035869tb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "1139",
      "DOI": "10.1063/1.1742731",
      "volume": "24",
      "author": "Benedict W. S.",
      "year": "1956",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00026/jp035869tb00026_1",
      "first-page": "159",
      "volume": "59",
      "author": "Hoy A. R.",
      "year": "1975",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "jp035869tb00027/jp035869tb00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "62",
      "DOI": "10.1016/0022-2852(74)90261-6",
      "volume": "53",
      "author": "Cook R. L.",
      "year": "1975",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "jp035869tb00028/jp035869tb00028_1",
      "first-page": "1521",
      "volume": "38",
      "author": "Kuchitsu K.",
      "year": "1965",
      "journal-title": "Bull. Chem. Soc. Jpn."
    },
    {
      "key": "jp035869tb00029/jp035869tb00029_1",
      "doi-asserted-by": "crossref",
      "first-page": "1325",
      "DOI": "10.1063/1.1680187",
      "volume": "59",
      "author": "Dyke T. R.",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00030/jp035869tb00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "49",
      "DOI": "10.1016/0301-0104(80)80079-6",
      "volume": "51",
      "author": "John I. J.",
      "year": "1980",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "jp035869tb00031/jp035869tb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "5877",
      "DOI": "10.1063/1.434794",
      "volume": "67",
      "author": "Murphy W. F.",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00032/jp035869tb00032_1",
      "unstructured": "Koch, W.; Holthausen, M. C.A Chemist's Guide to Density FunctionalTheory; Wiley-VCH:\u2009 Weinheim, Germany, 2000; pp 217\u2212226."
    },
    {
      "key": "jp035869tb00033/jp035869tb00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "5062",
      "DOI": "10.1063/1.439795",
      "volume": "72",
      "author": "Odutola J. A.",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00034/jp035869tb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "498",
      "DOI": "10.1063/1.433969",
      "volume": "66",
      "author": "Fredin L.",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00035/jp035869tb00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "3870",
      "DOI": "10.1063/1.437026",
      "volume": "69",
      "author": "Nelander B.",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00036/jp035869tb00036_1",
      "doi-asserted-by": "crossref",
      "first-page": "391",
      "DOI": "10.1016/0022-2852(80)90031-4",
      "volume": "84",
      "author": "Bentwood R. M.",
      "year": "1980",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "jp035869tb00037/jp035869tb00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "1521",
      "DOI": "10.1063/1.1673163",
      "volume": "52",
      "author": "Tursi A. J.",
      "year": "1970",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00038/jp035869tb00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "2703",
      "DOI": "10.1063/1.438628",
      "volume": "71",
      "author": "Curtiss L. A.",
      "year": "1979",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00039/jp035869tb00039_1",
      "doi-asserted-by": "crossref",
      "first-page": "2993",
      "DOI": "10.1021/jp952860l",
      "volume": "100",
      "author": "Feyerersen M. W.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp035869tb00040/jp035869tb00040_1",
      "doi-asserted-by": "crossref",
      "first-page": "8701",
      "DOI": "10.1021/jp950696w",
      "volume": "100",
      "author": "Estrin D. A.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp035869tb00041/jp035869tb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "10089",
      "DOI": "10.1021/j100091a024",
      "volume": "98",
      "author": "Kim K.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp035869tb00042/jp035869tb00042_1",
      "doi-asserted-by": "crossref",
      "first-page": "3073",
      "DOI": "10.1039/a902109d",
      "volume": "1",
      "author": "Hobza P.",
      "year": "1999",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "jp035869tb00043/jp035869tb00043_1",
      "doi-asserted-by": "crossref",
      "first-page": "2279",
      "DOI": "10.1063/1.450390",
      "volume": "84",
      "author": "Frisch M. J.",
      "year": "1986",
      "journal-title": "III J. Chem. Phys."
    },
    {
      "key": "jp035869tb00044/jp035869tb00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "243",
      "DOI": "10.1016/0009-2614(95)00393-I",
      "volume": "238",
      "author": "Bleiber A.",
      "year": "1995",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp035869tb00045/jp035869tb00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "2401",
      "DOI": "10.1063/1.457983",
      "volume": "92",
      "author": "Smith B. J.",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00046/jp035869tb00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "2793",
      "DOI": "10.1080/00268970210142648",
      "volume": "100",
      "author": "Taketsugu T.",
      "year": "2002",
      "journal-title": "J. Mol. Phys."
    },
    {
      "key": "jp035869tb00047/jp035869tb00047_1",
      "doi-asserted-by": "crossref",
      "first-page": "1479",
      "DOI": "10.1063/1.1423940",
      "volume": "116",
      "author": "Burnham C. J.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp035869tb00048/jp035869tb00048_1",
      "doi-asserted-by": "crossref",
      "first-page": "1169",
      "DOI": "10.1039/b205307a",
      "volume": "5",
      "author": "van Duijneveldt",
      "year": "2003",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "jp035869tb00049/jp035869tb00049_1",
      "doi-asserted-by": "crossref",
      "first-page": "86",
      "DOI": "10.1016/0022-2852(88)90286-X",
      "volume": "130",
      "author": "Coudert L. H.",
      "year": "1988",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "jp035869tb00050/jp035869tb00050_1",
      "doi-asserted-by": "crossref",
      "first-page": "667",
      "DOI": "10.1080/002689797169943",
      "volume": "92",
      "author": "Mok D. K. W.",
      "year": "1997",
      "journal-title": "Mol. Phys."
    }
  ],
  "container-title": "The Journal of Physical Chemistry A",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp035869t",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        10,
        12
      ]
    ],
    "date-time": "2021-10-12T09:22:17Z",
    "timestamp": 1634030537000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp035869t"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2004,
        3,
        1
      ]
    ]
  },
  "references-count": 50,
  "journal-issue": {
    "issue": "12",
    "published-print": {
      "date-parts": [
        [
          2004,
          3,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp035869t"
  ],
  "URL": "http://dx.doi.org/10.1021/jp035869t",
  "relation": {},
  "ISSN": [
    "1089-5639",
    "1520-5215"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. A",
  "published": {
    "date-parts": [
      [
        2004,
        3,
        1
      ]
    ]
  }
}