DOI: 10.1021/jp0469517. Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations

Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations

10.1021/jp0469517

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Sinnokrot, M. O., & Sherrill, C. D. (2004). Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer:â Sandwich, T-Shaped, and Parallel-Displaced Configurations. The Journal of Physical Chemistry A, 108(46), 10200â10207.

Authors 2

Mutasem Omar Sinnokrot (first)
C. David Sherrill (additional)

References 50 Referenced 655

10.1021/ja01123a067 / J. Am. Chem. Soc. by Mulliken R. S. (1952)
10.1021/ja00170a016 / J. Am. Chem. Soc. by Hunter C. A. (1990)
10.1126/science.8378771 / Science by Kumph R. A. (1993)
10.1126/science.3892686 / Science by Burley S. K. (1985)
10.1016/0022-2836(91)90271-7 / J. Mol. Biol. by Hunter C. A. (1991)
10.1016/S0022-2836(61)80004-1 / J. Mol. Biol. by Lerman L. S. (1961)
10.1007/978-1-4612-5190-3 / Principles of Nucleic Acid Structure by Saenger W. (1984)
10.1063/1.1731411 / J. Chem. Phys. by Zimm B. H. (1960)
10.1016/S0022-2836(64)80086-3 / J. Mol. Biol. by Crothers D. M. (1967)
10.1039/cs9942300101 / Chem. Soc. Rev. by Hunter C. A. (1994)
{'key': 'jp0469517b00011/jp0469517b00011_1', 'first-page': '191', 'volume': '92', 'author': 'Kryger G.', 'year': '1998', 'journal-title': 'J. Physiol.'} / J. Physiol. by Kryger G. (1998)
10.1002/(SICI)1099-1395(199705)10:5<254::AID-POC875>3.0.CO;2-3 / J. Phys. Org. Chem. by Claessens C. G. (1997)
10.1021/cg034006m / Cryst. Growth Des. by Glaser R. (2003)
10.1002/3527607439 / Supramolecular Chemistry: Concepts and Perspectives by Lehn J.,-M. (1995)
10.1016/0166-1280(94)80122-3 / J. Mol. Struct. (THEOCHEM) by Tsuzuki T. (1994)
10.1021/jp961239y / J. Phys. Chem. by Hobza P. (1996)
10.1063/1.1344891 / J. Chem. Phys. by Tsuzuki S. (2001)
10.1021/ja0105212 / J. Am. Chem. Soc. by Tsuzuki S. (2002)
10.1021/ja025896h / J. Am. Chem. Soc. by Sinnokrot M. O. (2002)
10.1021/jp030880e / J. Phys. Chem. A by Sinnokrot M. O. (2003)
10.1063/1.437383 / J. Chem. Phys. by Steed J. M. (1979)
10.1063/1.447514 / J. Chem. Phys. by Law K. S. (1984)
10.1063/1.465035 / J. Chem. Phys. by Arunan E. (1993)
10.1063/1.465750 / J. Chem. Phys. by Venturo V. A. (1993)
10.1021/cr00031a003 / Chem. Rev. by Felker P. M. (1994)
10.1063/1.472140 / J. Chem. Phys. by Jaffe R. L. (1996)
10.1063/1.1523057 / J. Chem. Phys. by Tsuzuki S. (2002)
10.1021/ja00087a041 / J. Am. Chem. Soc. by Hobza P. (1994)
10.1063/1.479338 / J. Chem. Phys. by Špirko V. (1999)
10.1063/1.459921 / J. Chem. Phys. by Kutzelnigg W. (1991)
10.1063/1.469769 / J. Chem. Phys. by Murphy R. B. (1995)
10.1002/jcc.10125 / J. Comput. Chem. by Kaminski G. A. (2002)
10.1021/jp0301103 / J. Phys. Chem. A. by Kaminski G. A. (2004)
10.1063/1.475886 / J. Chem. Phys. by Liu Y. P. (1998)
10.1002/(SICI)1096-987X(199802)19:3<334::AID-JCC7>3.0.CO;2-U / J. Comput. Chem. by Yin D. (1998)
10.1021/j100058a018 / J. Phys. Chem. by Tsuzuki S. (1994)
10.1002/jcc.20078 / J. Comput. Chem. by Grimme S. (2004)
10.1073/pnas.0308730100 / Proc Natl Acad Sci U.S.A. by Goddard W. A. (2004)
10.1063/1.462569 / J. Chem. Phys. by Kendall R. A. (1992)
10.1021/jp994408y / J. Phys. Chem. A by Gauss J. (2000)
10.1080/00268977000101561 / Mol. Phys. by Boys S. F. (1970)
Bukowski, R.; Cencek, W.; Jankowski, P.; Jeziorski, B.; Jeziorska, M.; Kucharski, S. A.; Misquitta, A. J.; Moszynski, R.; Patkowski, K.; Rybak, S.; Szalewicz, K.; Williams, H. L.; Wormer, P. E. S. InSAPT2002: An AbInitio Program for Many-Body Symmetry-Adapted Perturbation TheoryCalculations of Intermolecular Interaction Energies. Sequential andParallel Versions. see: http://www.physics.udel.edu/∼szalewic/SAPT/SAPT.html.
10.1021/cr00031a008 / Chem. Rev. by Jeziorski B. (1994)
10.1063/1.464296 / J. Chem. Phys. by Williams H. L. (1993)
10.1021/ja049434a / J. Am. Chem. Soc. by Sinnokrot M. O. (2004)
10.1002/1096-987X(200012)21:16<1532::AID-JCC10>3.0.CO;2-W / J. Comput. Chem. by Kong J. (2000)
{'key': 'jp0469517b00048/jp0469517b00048_1', 'volume-title': 'PSI 3.2', 'author': 'Crawford T. D.', 'year': '2003'} / PSI 3.2 by Crawford T. D. (2003)
{'key': 'jp0469517b00049/jp0469517b00049_1', 'volume-title': 'MOLPRO, a package of ab initio programs designed by Werner, H.-J.', 'author': 'Amos R. D.', 'year': '2002'} / MOLPRO, a package of ab initio programs designed by Werner, H.-J. by Amos R. D. (2002)
10.1021/jp001507z / J. Phys. Chem. A by Dunning T. H. (2000)
{'key': 'jp0469517b00051/jp0469517b00051_1', 'first-page': '9167', 'volume': '111', 'author': 'Halkier A.', 'year': '1999', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Halkier A. (1999)

Dates

Type	When
Created	20 years, 9 months ago (Nov. 11, 2004, 2 a.m.)
Deposited	3 years, 11 months ago (Sept. 22, 2021, 4:29 p.m.)
Indexed	1 month ago (July 24, 2025, 7:29 a.m.)
Issued	20 years, 10 months ago (Oct. 23, 2004)
Published	20 years, 10 months ago (Oct. 23, 2004)
Published Online	20 years, 10 months ago (Oct. 23, 2004)
Published Print	20 years, 9 months ago (Nov. 1, 2004)

Funders 0

None

BibTeX

@article{Sinnokrot_2004, title={Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations}, volume={108}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp0469517}, DOI={10.1021/jp0469517}, number={46}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Sinnokrot, Mutasem Omar and Sherrill, C. David}, year={2004}, month=oct, pages={10200–10207} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        24
      ]
    ],
    "date-time": "2025-07-24T11:29:51Z",
    "timestamp": 1753356591827
  },
  "reference-count": 50,
  "publisher": "American Chemical Society (ACS)",
  "issue": "46",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2004,
        11,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp0469517",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        11,
        11
      ]
    ],
    "date-time": "2004-11-11T07:00:32Z",
    "timestamp": 1100156432000
  },
  "page": "10200-10207",
  "source": "Crossref",
  "is-referenced-by-count": 655,
  "title": "Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer:\u2009 Sandwich, T-Shaped, and Parallel-Displaced Configurations",
  "prefix": "10.1021",
  "volume": "108",
  "author": [
    {
      "given": "Mutasem Omar",
      "family": "Sinnokrot",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400"
        }
      ]
    },
    {
      "given": "C. David",
      "family": "Sherrill",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2004,
        10,
        23
      ]
    ]
  },
  "reference": [
    {
      "key": "jp0469517b00001/jp0469517b00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "811",
      "DOI": "10.1021/ja01123a067",
      "volume": "74",
      "author": "Mulliken R. S.",
      "year": "1952",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp0469517b00002/jp0469517b00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "5525",
      "DOI": "10.1021/ja00170a016",
      "volume": "112",
      "author": "Hunter C. A.",
      "year": "1990",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp0469517b00003/jp0469517b00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "1708",
      "DOI": "10.1126/science.8378771",
      "volume": "261",
      "author": "Kumph R. A.",
      "year": "1993",
      "journal-title": "Science"
    },
    {
      "key": "jp0469517b00004/jp0469517b00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "23",
      "DOI": "10.1126/science.3892686",
      "volume": "229",
      "author": "Burley S. K.",
      "year": "1985",
      "journal-title": "Science"
    },
    {
      "key": "jp0469517b00005/jp0469517b00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "837",
      "DOI": "10.1016/0022-2836(91)90271-7",
      "volume": "218",
      "author": "Hunter C. A.",
      "year": "1991",
      "journal-title": "J. Mol. Biol."
    },
    {
      "key": "jp0469517b00006/jp0469517b00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "18",
      "DOI": "10.1016/S0022-2836(61)80004-1",
      "volume": "3",
      "author": "Lerman L. S.",
      "year": "1961",
      "journal-title": "J. Mol. Biol."
    },
    {
      "key": "jp0469517b00007/jp0469517b00007_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1007/978-1-4612-5190-3",
      "volume-title": "Principles of Nucleic Acid Structure",
      "author": "Saenger W.",
      "year": "1984"
    },
    {
      "key": "jp0469517b00008/jp0469517b00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "1349",
      "DOI": "10.1063/1.1731411",
      "volume": "33",
      "author": "Zimm B. H.",
      "year": "1960",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00009/jp0469517b00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/S0022-2836(64)80086-3",
      "volume": "9",
      "author": "Crothers D. M.",
      "year": "1967",
      "journal-title": "J. Mol. Biol."
    },
    {
      "key": "jp0469517b00010/jp0469517b00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "101",
      "DOI": "10.1039/cs9942300101",
      "volume": "23",
      "author": "Hunter C. A.",
      "year": "1994",
      "journal-title": "Chem. Soc. Rev."
    },
    {
      "key": "jp0469517b00011/jp0469517b00011_1",
      "first-page": "191",
      "volume": "92",
      "author": "Kryger G.",
      "year": "1998",
      "journal-title": "J. Physiol."
    },
    {
      "key": "jp0469517b00012/jp0469517b00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "254",
      "DOI": "10.1002/(SICI)1099-1395(199705)10:5<254::AID-POC875>3.0.CO;2-3",
      "volume": "10",
      "author": "Claessens C. G.",
      "year": "1997",
      "journal-title": "J. Phys. Org. Chem."
    },
    {
      "key": "jp0469517b00013/jp0469517b00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "291",
      "DOI": "10.1021/cg034006m",
      "volume": "3",
      "author": "Glaser R.",
      "year": "2003",
      "journal-title": "Cryst. Growth Des."
    },
    {
      "key": "jp0469517b00014/jp0469517b00014_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1002/3527607439",
      "volume-title": "Supramolecular Chemistry:\u2009 Concepts and Perspectives",
      "author": "Lehn J.,-M.",
      "year": "1995"
    },
    {
      "key": "jp0469517b00015/jp0469517b00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "107",
      "DOI": "10.1016/0166-1280(94)80122-3",
      "volume": "307",
      "author": "Tsuzuki T.",
      "year": "1994",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp0469517b00016/jp0469517b00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "18790",
      "DOI": "10.1021/jp961239y",
      "volume": "100",
      "author": "Hobza P.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp0469517b00017/jp0469517b00017_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."
    },
    {
      "key": "jp0469517b00018/jp0469517b00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "104",
      "DOI": "10.1021/ja0105212",
      "volume": "124",
      "author": "Tsuzuki S.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp0469517b00019/jp0469517b00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "10887",
      "DOI": "10.1021/ja025896h",
      "volume": "124",
      "author": "Sinnokrot M. O.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp0469517b00020/jp0469517b00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "8377",
      "DOI": "10.1021/jp030880e",
      "volume": "107",
      "author": "Sinnokrot M. O.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp0469517b00021/jp0469517b00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "4940",
      "DOI": "10.1063/1.437383",
      "volume": "70",
      "author": "Steed J. M.",
      "year": "1979",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00022/jp0469517b00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "4871",
      "DOI": "10.1063/1.447514",
      "volume": "81",
      "author": "Law K. S.",
      "year": "1984",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00023/jp0469517b00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "4294",
      "DOI": "10.1063/1.465035",
      "volume": "99",
      "author": "Arunan E.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00024/jp0469517b00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "748",
      "DOI": "10.1063/1.465750",
      "volume": "99",
      "author": "Venturo V. A.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00025/jp0469517b00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "1787",
      "DOI": "10.1021/cr00031a003",
      "volume": "94",
      "author": "Felker P. M.",
      "year": "1994",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp0469517b00026/jp0469517b00026_1",
      "doi-asserted-by": "crossref",
      "first-page": "2780",
      "DOI": "10.1063/1.472140",
      "volume": "105",
      "author": "Jaffe R. L.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00027/jp0469517b00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "11216",
      "DOI": "10.1063/1.1523057",
      "volume": "117",
      "author": "Tsuzuki S.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00028/jp0469517b00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "3500",
      "DOI": "10.1021/ja00087a041",
      "volume": "116",
      "author": "Hobza P.",
      "year": "1994",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp0469517b00029/jp0469517b00029_1",
      "doi-asserted-by": "crossref",
      "first-page": "572",
      "DOI": "10.1063/1.479338",
      "volume": "111",
      "author": "\u0160pirko V.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00030/jp0469517b00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "1985",
      "DOI": "10.1063/1.459921",
      "volume": "94",
      "author": "Kutzelnigg W.",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00031/jp0469517b00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "1481",
      "DOI": "10.1063/1.469769",
      "volume": "103",
      "author": "Murphy R. B.",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00032/jp0469517b00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "1515",
      "DOI": "10.1002/jcc.10125",
      "volume": "23",
      "author": "Kaminski G. A.",
      "year": "2002",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "jp0469517b00033/jp0469517b00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "621",
      "DOI": "10.1021/jp0301103",
      "volume": "108",
      "author": "Kaminski G. A.",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A."
    },
    {
      "key": "jp0469517b00034/jp0469517b00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "4739",
      "DOI": "10.1063/1.475886",
      "volume": "108",
      "author": "Liu Y. P.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00035/jp0469517b00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "334",
      "DOI": "10.1002/(SICI)1096-987X(199802)19:3<334::AID-JCC7>3.0.CO;2-U",
      "volume": "19",
      "author": "Yin D.",
      "year": "1998",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "jp0469517b00036/jp0469517b00036_1",
      "doi-asserted-by": "crossref",
      "first-page": "1830",
      "DOI": "10.1021/j100058a018",
      "volume": "98",
      "author": "Tsuzuki S.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp0469517b00037/jp0469517b00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "1463",
      "DOI": "10.1002/jcc.20078",
      "volume": "25",
      "author": "Grimme S.",
      "year": "2004",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "jp0469517b00038/jp0469517b00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "2673",
      "DOI": "10.1073/pnas.0308730100",
      "volume": "101",
      "author": "Goddard W. A.",
      "year": "2004",
      "journal-title": "Proc Natl Acad Sci U.S.A."
    },
    {
      "key": "jp0469517b00040/jp0469517b00040_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": "jp0469517b00041/jp0469517b00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "2865",
      "DOI": "10.1021/jp994408y",
      "volume": "104",
      "author": "Gauss J.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp0469517b00042/jp0469517b00042_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": "jp0469517b00043/jp0469517b00043_1",
      "unstructured": "Bukowski, R.; Cencek, W.; Jankowski, P.; Jeziorski, B.; Jeziorska, M.; Kucharski, S. A.; Misquitta, A. J.; Moszynski, R.; Patkowski, K.; Rybak, S.; Szalewicz, K.; Williams, H. L.; Wormer, P. E. S. InSAPT2002:\u2009 An AbInitio Program for Many-Body Symmetry-Adapted Perturbation TheoryCalculations of Intermolecular Interaction Energies. Sequential andParallel Versions. see:\u2009http://www.physics.udel.edu/\u223cszalewic/SAPT/SAPT.html."
    },
    {
      "key": "jp0469517b00044/jp0469517b00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "1887",
      "DOI": "10.1021/cr00031a008",
      "volume": "94",
      "author": "Jeziorski B.",
      "year": "1994",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "jp0469517b00045/jp0469517b00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "1279",
      "DOI": "10.1063/1.464296",
      "volume": "98",
      "author": "Williams H. L.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp0469517b00046/jp0469517b00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "7690",
      "DOI": "10.1021/ja049434a",
      "volume": "126",
      "author": "Sinnokrot M. O.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp0469517b00047/jp0469517b00047_1",
      "doi-asserted-by": "crossref",
      "first-page": "1532",
      "DOI": "10.1002/1096-987X(200012)21:16<1532::AID-JCC10>3.0.CO;2-W",
      "volume": "21",
      "author": "Kong J.",
      "year": "2000",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "jp0469517b00048/jp0469517b00048_1",
      "volume-title": "PSI 3.2",
      "author": "Crawford T. D.",
      "year": "2003"
    },
    {
      "key": "jp0469517b00049/jp0469517b00049_1",
      "volume-title": "MOLPRO, a package of ab initio programs designed by Werner, H.-J.",
      "author": "Amos R. D.",
      "year": "2002"
    },
    {
      "key": "jp0469517b00050/jp0469517b00050_1",
      "doi-asserted-by": "crossref",
      "first-page": "9080",
      "DOI": "10.1021/jp001507z",
      "volume": "104",
      "author": "Dunning T. H.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "jp0469517b00051/jp0469517b00051_1",
      "first-page": "9167",
      "volume": "111",
      "author": "Halkier A.",
      "year": "1999",
      "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/jp0469517",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        9,
        22
      ]
    ],
    "date-time": "2021-09-22T20:29:18Z",
    "timestamp": 1632342558000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp0469517"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2004,
        10,
        23
      ]
    ]
  },
  "references-count": 50,
  "journal-issue": {
    "issue": "46",
    "published-print": {
      "date-parts": [
        [
          2004,
          11,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp0469517"
  ],
  "URL": "http://dx.doi.org/10.1021/jp0469517",
  "relation": {},
  "ISSN": [
    "1089-5639",
    "1520-5215"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. A",
  "published": {
    "date-parts": [
      [
        2004,
        10,
        23
      ]
    ]
  }
}