DOI: 10.1021/jp970676p. Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H<sub>2</sub>, O + H<sub>2</sub>, and H‘ + HCl

Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H2, O + H2, and H‘ + HCl

10.1021/jp970676p

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Peterson, K. A., & Dunning, T. H. (1997). Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H2, O + H2, and Hâ + HCl. The Journal of Physical Chemistry A, 101(35), 6280â6292.

Authors 2

Kirk A. Peterson (first)
Thom H. Dunning (additional)

References 63 Referenced 55

10.1063/1.451917 / J. Chem. Phys. by Almlöf J. (1987)
10.1007/BF01120130 / Theor. Chim. Acta by Widmark P. O. (1990)
10.1007/BF01112569 / Theor. Chim. Acta by Widmark P. O. (1991)
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)
10.1063/1.464303 / J. Chem. Phys. by Woon D. E. (1993)
10.1063/1.466439 / J. Chem. Phys. by Woon D. E. (1994)
10.1063/1.470645 / J. Chem. Phys. by Woon D. E. (1995)
10.1016/S0166-1280(96)80048-0 / J. Mol. Struct. (THEOCHEM) by Wilson A. K. (1996)
10.1063/1.465306 / J. Chem. Phys. by Woon D. E. (1993)
10.1063/1.465307 / J. Chem. Phys. by Peterson K. A. (1993)
10.1063/1.465461 / J. Chem. Phys. by Peterson K. A. (1993)
10.1063/1.468080 / J. Chem. Phys. by Woon D. E. (1994)
10.1021/j100012a005 / J. Phys. Chem. by Peterson K. A. (1995)
10.1063/1.469399 / J. Chem. Phys. by Peterson K. A. (1995)
10.1063/1.466478 / J. Chem. Phys. by Woon D. E. (1994)
10.1063/1.468725 / J. Chem. Phys. by Peterson K. A. (1995)
10.1063/1.466884 / J. Chem. Phys. by Peterson K. A. (1994)
10.1063/1.474078 / J. Chem. Phys. by Peterson K. A. (1997)
10.1063/1.471372 / J. Chem. Phys. by Stark K. (1996)
10.1126/science.262.5141.1852 / Science by Manolopoulos D. E. (1993)
10.1063/1.447318 / J. Chem. Phys. by Wright J. S. (1984)
10.1021/j100271a006 / J. Phys. Chem. by Schaefer H. F. I. (1985)
10.1063/1.439399 / J. Chem. Phys. by Walch S. P. (1980)
10.1063/1.438864 / J. Chem. Phys. by Walch S. P. (1980)
10.1063/1.452544 / J. Chem. Phys. by Walch S. P. (1987)
10.1063/1.455914 / J. Chem. Phys. by Schwenke D. W. (1989)
10.1021/jp960781j / J. Phys. Chem. by Allison T. C. (1996)
10.1063/1.462652 / J. Chem. Phys. by Feller D. (1992)
10.1016/0009-2614(93)85601-J / Chem. Phys. Lett. by Woon D. E. (1993)
10.1063/1.471320 / J. Chem. Phys. by Woon D. E. (1996)
10.1021/j100103a020 / J. Phys. Chem. by Del Bene J. E. (1993)
{'key': 'jp970676pb00034/jp970676pb00034_1', 'author': 'Peterson K. A.', 'journal-title': 'J. Mol. Struct. (THEOCHEM), in press.'} / J. Mol. Struct. (THEOCHEM), in press. by Peterson K. A.
10.1063/1.443164 / J. Chem. Phys. by Purvis G. D. (1982)
10.1016/S0009-2614(89)87395-6 / Chem. Phys. Lett. by Ragavachari K. (1989)
10.1016/0009-2614(92)86093-W / Chem. Phys. Lett. by Hampel C. (1992)
10.1016/0009-2614(94)00815-9 / J. Chem. Phys. Lett. by Deegan M. J. O. (1994)
10.1103/PhysRev.46.618 / Phys. Rev. by Møller C. (1934)
10.1063/1.465990 / J. Chem. Phys. by Knowles P. J. (1994)
10.1016/0009-2614(91)90005-T / Chem. Phys. Lett. by Scuseria G. E. (1991)
10.1021/j100322a004 / J. Phys. Chem. by Rittby M. (1988)
10.1063/1.455556 / J. Chem. Phys. by Werner H.-J. (1988)
10.1016/0009-2614(88)87412-8 / Chem. Phys. Lett. by Knowles P. J. (1988)
10.1002/qua.560080106 / Int. J. Quantum Chem. by Langhoff S. R. (1974)
10.1063/1.445449 / J. Chem. Phys. by Blomberg M. R. A. (1983)
10.1021/j100339a025 / J. Phys. Chem. by Simons J. (1989)
{'key': 'jp970676pb00049/jp970676pb00049_1', 'volume-title': 'University of Wisconsin', 'author': 'Peterson K. A., Ph.D.', 'year': '1990'} / University of Wisconsin by Peterson K. A., Ph.D. (1990)
Senekowitsch, J., Ph.D. Thesis, Universität Frankfurt, Frankfurt, Germany, 1988.
{'key': 'jp970676pb00052/jp970676pb00052_1', 'volume-title': 'J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett'} / J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett
{'key': 'jp970676pb00053/jp970676pb00053_1', 'volume-title': 'Gaussian', 'author': 'Gaussian', 'year': '1995'} / Gaussian by Gaussian (1995)
10.1016/0009-2614(94)87114-0 / Chem. Phys. Lett. by Martin J. M. L. (1994)
{'key': 'jp970676pb00055/jp970676pb00055_1', 'volume-title': 'Atomic Energy Levels', 'author': 'Moore C. E.', 'year': '1971'} / Atomic Energy Levels by Moore C. E. (1971)
10.1007/978-1-4757-0961-2 / Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules by Huber K. P. (1979)
10.1063/1.455786 / J. Chem. Phys. by Bauschlicher C. W. (1989)
10.1016/0009-2614(91)80259-Z / Chem. Phys. Lett. by Knowles P. J. (1991)
10.1016/0009-2614(88)80016-2 / Chem. Phys. Lett. by Schlegel H. B. (1988)
10.1063/1.463400 / J. Chem. Phys. by Wright J. S. (1992)
10.1063/1.461369 / J. Chem. Phys. by Scuseria G. E. (1991)
10.1063/1.465974 / J. Chem. Phys. by Kraka E. (1993)
10.1016/0009-2614(85)85042-9 / Chem. Phys. Lett. by Frisch M. J. (1985)
10.1021/jp960782b / J. Phys. Chem. by Mielke S. L. (1996)
10.1126/science.273.5281.1519 / Science by Alagia M. (1996)
10.1021/j100112a006 / J. Phys. Chem. by Dobbs K. D. (1993)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 1:12 a.m.)
Deposited	3 years, 11 months ago (Sept. 20, 2021, 7:26 a.m.)
Indexed	4 months, 1 week ago (April 24, 2025, 3:24 a.m.)
Issued	28 years, 1 month ago (Aug. 1, 1997)
Published	28 years, 1 month ago (Aug. 1, 1997)
Published Online	28 years ago (Aug. 28, 1997)
Published Print	28 years, 1 month ago (Aug. 1, 1997)

Funders 0

None

BibTeX

@article{Peterson_1997, title={Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H2, O + H2, and H‘ + HCl}, volume={101}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp970676p}, DOI={10.1021/jp970676p}, number={35}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Peterson, Kirk A. and Dunning, Thom H.}, year={1997}, month=aug, pages={6280–6292} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        4,
        24
      ]
    ],
    "date-time": "2025-04-24T07:24:43Z",
    "timestamp": 1745479483924
  },
  "reference-count": 63,
  "publisher": "American Chemical Society (ACS)",
  "issue": "35",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1997,
        8,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp970676p",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T05:12:54Z",
    "timestamp": 1027660374000
  },
  "page": "6280-6292",
  "source": "Crossref",
  "is-referenced-by-count": 55,
  "title": "Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of the Elementary Reactions F + H<sub>2</sub>, O + H<sub>2</sub>, and H\u2018 + HCl",
  "prefix": "10.1021",
  "volume": "101",
  "author": [
    {
      "given": "Kirk A.",
      "family": "Peterson",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, Washington State University, and the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352"
        }
      ]
    },
    {
      "given": "Thom H.",
      "family": "Dunning",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        1997,
        8,
        28
      ]
    ]
  },
  "reference": [
    {
      "key": "jp970676pb00001/jp970676pb00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "4070",
      "DOI": "10.1063/1.451917",
      "volume": "86",
      "author": "Alml\u00f6f J.",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00002/jp970676pb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "291",
      "DOI": "10.1007/BF01120130",
      "volume": "77",
      "author": "Widmark P. O.",
      "year": "1990",
      "journal-title": "Theor. Chim. Acta"
    },
    {
      "key": "jp970676pb00003/jp970676pb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "419",
      "DOI": "10.1007/BF01112569",
      "volume": "79",
      "author": "Widmark P. O.",
      "year": "1991",
      "journal-title": "Theor. Chim. Acta"
    },
    {
      "key": "jp970676pb00004/jp970676pb00004_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": "jp970676pb00005/jp970676pb00005_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": "jp970676pb00006/jp970676pb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "1358",
      "DOI": "10.1063/1.464303",
      "volume": "98",
      "author": "Woon D. E.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00007/jp970676pb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "2975",
      "DOI": "10.1063/1.466439",
      "volume": "100",
      "author": "Woon D. E.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00008/jp970676pb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "4572",
      "DOI": "10.1063/1.470645",
      "volume": "103",
      "author": "Woon D. E.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00009/jp970676pb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "339",
      "DOI": "10.1016/S0166-1280(96)80048-0",
      "volume": "388",
      "author": "Wilson A. K.",
      "year": "1996",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp970676pb00010/jp970676pb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "1914",
      "DOI": "10.1063/1.465306",
      "volume": "99",
      "author": "Woon D. E.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00011/jp970676pb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "1930",
      "DOI": "10.1063/1.465307",
      "volume": "99",
      "author": "Peterson K. A.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00012/jp970676pb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "9790",
      "DOI": "10.1063/1.465461",
      "volume": "99",
      "author": "Peterson K. A.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00013/jp970676pb00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "8877",
      "DOI": "10.1063/1.468080",
      "volume": "101",
      "author": "Woon D. E.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00014/jp970676pb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "3898",
      "DOI": "10.1021/j100012a005",
      "volume": "99",
      "author": "Peterson K. A.",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00015/jp970676pb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "262",
      "DOI": "10.1063/1.469399",
      "volume": "102",
      "author": "Peterson K. A.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00016/jp970676pb00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "2838",
      "DOI": "10.1063/1.466478",
      "volume": "100",
      "author": "Woon D. E.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00017/jp970676pb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "2032",
      "DOI": "10.1063/1.468725",
      "volume": "102",
      "author": "Peterson K. A.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00018/jp970676pb00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "7410",
      "DOI": "10.1063/1.466884",
      "volume": "100",
      "author": "Peterson K. A.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00019/jp970676pb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "4119",
      "DOI": "10.1063/1.474078",
      "volume": "106",
      "author": "Peterson K. A.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00020/jp970676pb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "6515",
      "DOI": "10.1063/1.471372",
      "volume": "104",
      "author": "Stark K.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00021/jp970676pb00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "1852",
      "DOI": "10.1126/science.262.5141.1852",
      "volume": "262",
      "author": "Manolopoulos D. E.",
      "year": "1993",
      "journal-title": "Science"
    },
    {
      "key": "jp970676pb00022/jp970676pb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "397",
      "DOI": "10.1063/1.447318",
      "volume": "81",
      "author": "Wright J. S.",
      "year": "1984",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00023/jp970676pb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "5336",
      "DOI": "10.1021/j100271a006",
      "volume": "89",
      "author": "Schaefer H. F. I.",
      "year": "1985",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00024/jp970676pb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "2894",
      "DOI": "10.1063/1.439399",
      "volume": "72",
      "author": "Walch S. P.",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00025/jp970676pb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "406",
      "DOI": "10.1063/1.438864",
      "volume": "72",
      "author": "Walch S. P.",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00026/jp970676pb00026_1",
      "doi-asserted-by": "crossref",
      "first-page": "5670",
      "DOI": "10.1063/1.452544",
      "volume": "86",
      "author": "Walch S. P.",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00028/jp970676pb00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "3110",
      "DOI": "10.1063/1.455914",
      "volume": "90",
      "author": "Schwenke D. W.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00029/jp970676pb00029_1",
      "doi-asserted-by": "crossref",
      "first-page": "13575",
      "DOI": "10.1021/jp960781j",
      "volume": "100",
      "author": "Allison T. C.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00030/jp970676pb00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "6104",
      "DOI": "10.1063/1.462652",
      "volume": "96",
      "author": "Feller D.",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00031/jp970676pb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1016/0009-2614(93)85601-J",
      "volume": "204",
      "author": "Woon D. E.",
      "year": "1993",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00032/jp970676pb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "5883",
      "DOI": "10.1063/1.471320",
      "volume": "104",
      "author": "Woon D. E.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00033/jp970676pb00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "107",
      "DOI": "10.1021/j100103a020",
      "volume": "97",
      "author": "Del Bene J. E.",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00034/jp970676pb00034_1",
      "author": "Peterson K. A.",
      "journal-title": "J. Mol. Struct. (THEOCHEM), in press."
    },
    {
      "key": "jp970676pb00036/jp970676pb00036_1",
      "doi-asserted-by": "crossref",
      "first-page": "1910",
      "DOI": "10.1063/1.443164",
      "volume": "76",
      "author": "Purvis G. D.",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00037/jp970676pb00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "479",
      "DOI": "10.1016/S0009-2614(89)87395-6",
      "volume": "157",
      "author": "Ragavachari K.",
      "year": "1989",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00038/jp970676pb00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0009-2614(92)86093-W",
      "volume": "190",
      "author": "Hampel C.",
      "year": "1992",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00039/jp970676pb00039_1",
      "doi-asserted-by": "crossref",
      "first-page": "321",
      "DOI": "10.1016/0009-2614(94)00815-9",
      "volume": "227",
      "author": "Deegan M. J. O.",
      "year": "1994",
      "journal-title": "J. Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00040/jp970676pb00040_1",
      "doi-asserted-by": "crossref",
      "first-page": "618",
      "DOI": "10.1103/PhysRev.46.618",
      "volume": "46",
      "author": "M\u00f8ller C.",
      "year": "1934",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "jp970676pb00041/jp970676pb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "5219",
      "DOI": "10.1063/1.465990",
      "volume": "99",
      "author": "Knowles P. J.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00042/jp970676pb00042_1",
      "doi-asserted-by": "crossref",
      "first-page": "27",
      "DOI": "10.1016/0009-2614(91)90005-T",
      "volume": "176",
      "author": "Scuseria G. E.",
      "year": "1991",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00043/jp970676pb00043_1",
      "doi-asserted-by": "crossref",
      "first-page": "3033",
      "DOI": "10.1021/j100322a004",
      "volume": "92",
      "author": "Rittby M.",
      "year": "1988",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00044/jp970676pb00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "5803",
      "DOI": "10.1063/1.455556",
      "volume": "89",
      "author": "Werner H.-J.",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00045/jp970676pb00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "514",
      "DOI": "10.1016/0009-2614(88)87412-8",
      "volume": "145",
      "author": "Knowles P. J.",
      "year": "1988",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00046/jp970676pb00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "61",
      "DOI": "10.1002/qua.560080106",
      "volume": "8",
      "author": "Langhoff S. R.",
      "year": "1974",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp970676pb00047/jp970676pb00047_1",
      "doi-asserted-by": "crossref",
      "first-page": "5682",
      "DOI": "10.1063/1.445449",
      "volume": "78",
      "author": "Blomberg M. R. A.",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00048/jp970676pb00048_1",
      "doi-asserted-by": "crossref",
      "first-page": "626",
      "DOI": "10.1021/j100339a025",
      "volume": "93",
      "author": "Simons J.",
      "year": "1989",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00049/jp970676pb00049_1",
      "volume-title": "University of Wisconsin",
      "author": "Peterson K. A., Ph.D.",
      "year": "1990"
    },
    {
      "key": "jp970676pb00050/jp970676pb00050_1",
      "unstructured": "Senekowitsch, J., Ph.D. Thesis, Universit\u00e4t Frankfurt, Frankfurt, Germany, 1988."
    },
    {
      "key": "jp970676pb00052/jp970676pb00052_1",
      "volume-title": "J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett"
    },
    {
      "key": "jp970676pb00053/jp970676pb00053_1",
      "volume-title": "Gaussian",
      "author": "Gaussian",
      "year": "1995"
    },
    {
      "key": "jp970676pb00054/jp970676pb00054_1",
      "doi-asserted-by": "crossref",
      "first-page": "473",
      "DOI": "10.1016/0009-2614(94)87114-0",
      "volume": "225",
      "author": "Martin J. M. L.",
      "year": "1994",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00055/jp970676pb00055_1",
      "volume-title": "Atomic Energy Levels",
      "author": "Moore C. E.",
      "year": "1971"
    },
    {
      "key": "jp970676pb00056/jp970676pb00056_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1007/978-1-4757-0961-2",
      "volume-title": "Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules",
      "author": "Huber K. P.",
      "year": "1979"
    },
    {
      "key": "jp970676pb00057/jp970676pb00057_1",
      "doi-asserted-by": "crossref",
      "first-page": "4296",
      "DOI": "10.1063/1.455786",
      "volume": "90",
      "author": "Bauschlicher C. W.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00058/jp970676pb00058_1",
      "doi-asserted-by": "crossref",
      "first-page": "555",
      "DOI": "10.1016/0009-2614(91)80259-Z",
      "volume": "185",
      "author": "Knowles P. J.",
      "year": "1991",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00059/jp970676pb00059_1",
      "doi-asserted-by": "crossref",
      "first-page": "329",
      "DOI": "10.1016/0009-2614(88)80016-2",
      "volume": "145",
      "author": "Schlegel H. B.",
      "year": "1988",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00060/jp970676pb00060_1",
      "doi-asserted-by": "crossref",
      "first-page": "8296",
      "DOI": "10.1063/1.463400",
      "volume": "97",
      "author": "Wright J. S.",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00061/jp970676pb00061_1",
      "doi-asserted-by": "crossref",
      "first-page": "7426",
      "DOI": "10.1063/1.461369",
      "volume": "95",
      "author": "Scuseria G. E.",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00062/jp970676pb00062_1",
      "doi-asserted-by": "crossref",
      "first-page": "5306",
      "DOI": "10.1063/1.465974",
      "volume": "99",
      "author": "Kraka E.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp970676pb00063/jp970676pb00063_1",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0009-2614(85)85042-9",
      "volume": "114",
      "author": "Frisch M. J.",
      "year": "1985",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp970676pb00064/jp970676pb00064_1",
      "doi-asserted-by": "crossref",
      "first-page": "13588",
      "DOI": "10.1021/jp960782b",
      "volume": "100",
      "author": "Mielke S. L.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp970676pb00065/jp970676pb00065_1",
      "doi-asserted-by": "crossref",
      "first-page": "1519",
      "DOI": "10.1126/science.273.5281.1519",
      "volume": "273",
      "author": "Alagia M.",
      "year": "1996",
      "journal-title": "Science"
    },
    {
      "key": "jp970676pb00066/jp970676pb00066_1",
      "doi-asserted-by": "crossref",
      "first-page": "2085",
      "DOI": "10.1021/j100112a006",
      "volume": "97",
      "author": "Dobbs K. D.",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    }
  ],
  "container-title": "The Journal of Physical Chemistry A",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp970676p",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        9,
        20
      ]
    ],
    "date-time": "2021-09-20T11:26:40Z",
    "timestamp": 1632137200000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp970676p"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1997,
        8,
        1
      ]
    ]
  },
  "references-count": 63,
  "journal-issue": {
    "issue": "35",
    "published-print": {
      "date-parts": [
        [
          1997,
          8,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp970676p"
  ],
  "URL": "http://dx.doi.org/10.1021/jp970676p",
  "relation": {},
  "ISSN": [
    "1089-5639",
    "1520-5215"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. A",
  "published": {
    "date-parts": [
      [
        1997,
        8,
        1
      ]
    ]
  }
}