DOI: 10.1021/jp053583d. Ab Initio Potential Energy and Dipole Moment Surfaces of (H<sub>2</sub>O)<sub>2</sub>

Ab Initio Potential Energy and Dipole Moment Surfaces of (H2O)2

10.1021/jp053583d

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Huang, X., Braams, B. J., & Bowman, J. M. (2005). Ab Initio Potential Energy and Dipole Moment Surfaces of (H2O)2. The Journal of Physical Chemistry A, 110(2), 445â451.

Authors 3

Xinchuan Huang (first)
Bastiaan J. Braams (additional)
Joel M. Bowman (additional)

References 30 Referenced 121

10.1039/a910312k / Phys. Chem. Chem. Phys. by Klopper W. (2000)
10.1080/00268970210142648 / J. Mol. Phys. by Taketsugu T. (2002)
10.1063/1.1651058 / J. Chem. Phys. by Watanabe Y. (2004)
{'key': 'jp053583db00004/jp053583db00004_1', 'first-page': '122', 'author': 'Crittenden D. L.', 'year': '2005', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Crittenden D. L. (2005)
10.1021/jp037372p / J. Phys. Chem. A by Wieczorek R. (2004)
10.1063/1.1423940 / J. Chem. Phys. by Burnham C. J. (2002)
10.1063/1.458133 / J. Chem. Phys. by Smith B. J. (1990)
10.1063/1.1408302 / J. Chem. Phys. by Tschumper G. S. (2002)
10.1039/b304952c / Phys. Chem. Chem. Phys. by Schofield D. P. (2003)
10.1063/1.465599 / J. Chem. Phys. by Xantheas S. S. (1993)
10.1063/1.1614774 / J. Chem. Phys. by Keutsch F. N. (2003)
10.1021/jp035360y / J. Phys. Chem. A by Goldman N. (2004)
10.1063/1.1645777 / J. Chem. Phys. by Goldman N. (2004)
10.1063/1.1476932 / J. Chem. Phys. by Goldman N. (2002)
10.1063/1.1514977 / J. Chem. Phys. by Leforestier C. (2002)
10.1016/j.chemphys.2004.06.028 / Chem. Phys. by Bouteiller Y. (2004)
10.1006/jmsp.1993.1037 / J. Mol. Spectrosc. by Forney D. (1993)
10.1021/jp049288v / J. Phys. Chem. A by Ceponkus J. (2004)
10.1063/1.457380 / J. Chem. Phys. by Huang Z. S. (1989)
10.1039/b008825k / J. Faraday Discuss. by Keutsch F. N. (2001)
10.1021/jp004609y / J. Phys. Chem. A by Smit M. J. (2001)
10.1080/00268970310001636486 / J. Mol. Phys. by Keutsch F. N. (2003)
10.1063/1.1311289 / J. Chem. Phys. by Mas E. M. (2000)
10.1063/1.438628 / J. Chem. Phys. by Curtiss L. A. (1979)
10.1103/PhysRevLett.84.4072 / Phys. Rev. Lett. by Groenenboom G. C. (2000)
10.1098/rsta.2004.1504 / J. Philos. Trans. R. Soc. A by Goldman N. (2005)
10.1063/1.1834500 / J. Chem. Phys. by Huang X. C. (2005)
{'key': 'jp053583db00028/jp053583db00028_1', 'volume-title': 'P. J. Knowles, M. Schütz, R. Lindh, P. Celani, T. Korona, G. Rauhut, F. R. Manby, R. D. Amos, A.'} / P. J. Knowles, M. Schütz, R. Lindh, P. Celani, T. Korona, G. Rauhut, F. R. Manby, R. D. Amos, A.
10.1080/00268977000101561 / Mol. Phys. by Boys S. F. (1970)
10.1063/1.473987 / J. Chem. Phys. by Partridge H. (1997)

Dates

Type	When
Created	19 years, 7 months ago (Jan. 12, 2006, 12:59 a.m.)
Deposited	3 years, 11 months ago (Sept. 19, 2021, 11:51 a.m.)
Indexed	1 month, 4 weeks ago (June 30, 2025, 8:09 a.m.)
Issued	19 years, 11 months ago (Sept. 17, 2005)
Published	19 years, 11 months ago (Sept. 17, 2005)
Published Online	19 years, 11 months ago (Sept. 17, 2005)
Published Print	19 years, 7 months ago (Jan. 1, 2006)

Funders 0

None

BibTeX

@article{Huang_2005, title={Ab Initio Potential Energy and Dipole Moment Surfaces of (H2O)2}, volume={110}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp053583d}, DOI={10.1021/jp053583d}, number={2}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Huang, Xinchuan and Braams, Bastiaan J. and Bowman, Joel M.}, year={2005}, month=sep, pages={445–451} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        30
      ]
    ],
    "date-time": "2025-06-30T12:09:22Z",
    "timestamp": 1751285362610
  },
  "reference-count": 30,
  "publisher": "American Chemical Society (ACS)",
  "issue": "2",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2006,
        1,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp053583d",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2006,
        1,
        12
      ]
    ],
    "date-time": "2006-01-12T05:59:27Z",
    "timestamp": 1137045567000
  },
  "page": "445-451",
  "source": "Crossref",
  "is-referenced-by-count": 121,
  "title": "Ab Initio Potential Energy and Dipole Moment Surfaces of (H<sub>2</sub>O)<sub>2</sub>",
  "prefix": "10.1021",
  "volume": "110",
  "author": [
    {
      "given": "Xinchuan",
      "family": "Huang",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Cherry L. Emerson Center of Scientific Computation, Department of Chemistry, and Department of Mathematics and Computer Science, Emory University, Atlanta, Georgia 30322"
        }
      ]
    },
    {
      "given": "Bastiaan J.",
      "family": "Braams",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Cherry L. Emerson Center of Scientific Computation, Department of Chemistry, and Department of Mathematics and Computer Science, Emory University, Atlanta, Georgia 30322"
        }
      ]
    },
    {
      "given": "Joel M.",
      "family": "Bowman",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Cherry L. Emerson Center of Scientific Computation, Department of Chemistry, and Department of Mathematics and Computer Science, Emory University, Atlanta, Georgia 30322"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2005,
        9,
        17
      ]
    ]
  },
  "reference": [
    {
      "key": "jp053583db00001/jp053583db00001_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": "jp053583db00002/jp053583db00002_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": "jp053583db00003/jp053583db00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "5993",
      "DOI": "10.1063/1.1651058",
      "volume": "120",
      "author": "Watanabe Y.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00004/jp053583db00004_1",
      "first-page": "122",
      "author": "Crittenden D. L.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00005/jp053583db00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "6713",
      "DOI": "10.1021/jp037372p",
      "volume": "108",
      "author": "Wieczorek R.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp053583db00006/jp053583db00006_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": "jp053583db00007/jp053583db00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "1240",
      "DOI": "10.1063/1.458133",
      "volume": "92",
      "author": "Smith B. J.",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00008/jp053583db00008_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": "jp053583db00009/jp053583db00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "3100",
      "DOI": "10.1039/b304952c",
      "volume": "5",
      "author": "Schofield D. P.",
      "year": "2003",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "jp053583db00010/jp053583db00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "8774",
      "DOI": "10.1063/1.465599",
      "volume": "99",
      "author": "Xantheas S. S.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00011/jp053583db00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "8927",
      "DOI": "10.1063/1.1614774",
      "volume": "119",
      "author": "Keutsch F. N.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00012/jp053583db00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "787",
      "DOI": "10.1021/jp035360y",
      "volume": "108",
      "author": "Goldman N.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp053583db00013/jp053583db00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "4777",
      "DOI": "10.1063/1.1645777",
      "volume": "120",
      "author": "Goldman N.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00014/jp053583db00014_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": "jp053583db00015/jp053583db00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "8710",
      "DOI": "10.1063/1.1514977",
      "volume": "117",
      "author": "Leforestier C.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00016/jp053583db00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/j.chemphys.2004.06.028",
      "volume": "305",
      "author": "Bouteiller Y.",
      "year": "2004",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "jp053583db00017/jp053583db00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "479",
      "DOI": "10.1006/jmsp.1993.1037",
      "volume": "157",
      "author": "Forney D.",
      "year": "1993",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "jp053583db00018/jp053583db00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "6499",
      "DOI": "10.1021/jp049288v",
      "volume": "108",
      "author": "Ceponkus J.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp053583db00019/jp053583db00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "6613",
      "DOI": "10.1063/1.457380",
      "volume": "91",
      "author": "Huang Z. S.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00020/jp053583db00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "79",
      "DOI": "10.1039/b008825k",
      "volume": "118",
      "author": "Keutsch F. N.",
      "year": "2001",
      "journal-title": "J. Faraday Discuss."
    },
    {
      "key": "jp053583db00021/jp053583db00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "6212",
      "DOI": "10.1021/jp004609y",
      "volume": "105",
      "author": "Smit M. J.",
      "year": "2001",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp053583db00022/jp053583db00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "3477",
      "DOI": "10.1080/00268970310001636486",
      "volume": "101",
      "author": "Keutsch F. N.",
      "year": "2003",
      "journal-title": "J. Mol. Phys."
    },
    {
      "key": "jp053583db00023/jp053583db00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "6687",
      "DOI": "10.1063/1.1311289",
      "volume": "113",
      "author": "Mas E. M.",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00024/jp053583db00024_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": "jp053583db00025/jp053583db00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "4072",
      "DOI": "10.1103/PhysRevLett.84.4072",
      "volume": "84",
      "author": "Groenenboom G. C.",
      "year": "2000",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp053583db00026/jp053583db00026_1",
      "doi-asserted-by": "crossref",
      "first-page": "493",
      "DOI": "10.1098/rsta.2004.1504",
      "volume": "363",
      "author": "Goldman N.",
      "year": "2005",
      "journal-title": "J. Philos. Trans. R. Soc. A"
    },
    {
      "key": "jp053583db00027/jp053583db00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "044308",
      "DOI": "10.1063/1.1834500",
      "volume": "122",
      "author": "Huang X. C.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp053583db00028/jp053583db00028_1",
      "volume-title": "P. J. Knowles, M. Sch\u00fctz, R. Lindh, P. Celani, T. Korona, G. Rauhut, F. R. Manby, R. D. Amos, A."
    },
    {
      "key": "jp053583db00029/jp053583db00029_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": "jp053583db00030/jp053583db00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "4618",
      "DOI": "10.1063/1.473987",
      "volume": "106",
      "author": "Partridge H.",
      "year": "1997",
      "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/jp053583d",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        9,
        19
      ]
    ],
    "date-time": "2021-09-19T15:51:07Z",
    "timestamp": 1632066667000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp053583d"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2005,
        9,
        17
      ]
    ]
  },
  "references-count": 30,
  "journal-issue": {
    "issue": "2",
    "published-print": {
      "date-parts": [
        [
          2006,
          1,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp053583d"
  ],
  "URL": "http://dx.doi.org/10.1021/jp053583d",
  "relation": {},
  "ISSN": [
    "1089-5639",
    "1520-5215"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. A",
  "published": {
    "date-parts": [
      [
        2005,
        9,
        17
      ]
    ]
  }
}