DOI: 10.1016/0009-2614(94)00526-5. The CuC bond dissociation energy of CuCH3. A dramatic failure of the QCISD(T) method

The CuC bond dissociation energy of CuCH3. A dramatic failure of the QCISD(T) method

10.1016/0009-2614(94)00526-5

Crossref journal-article

Elsevier BV

Chemical Physics Letters (78)

Bibliography

BÃ¶hme, M., & Frenking, G. (1994). The Cuî¸C bond dissociation energy of CuCH3. A dramatic failure of the QCISD(T) method. Chemical Physics Letters, 224(1â2), 195â199.

Authors 2

Marlis Böhme (first)
Gernot Frenking (additional)

References 36 Referenced 41

10.1007/BF01117418 / Theoret. Chim. Acta by Kutzelnigg (1991)
10.1063/1.1727484 / J. Chem. Phys. by Čižek (1966)
{'key': '10.1016/0009-2614(94)00526-5_BIB2_2', 'first-page': '35', 'volume': '14', 'author': 'Čižek', 'year': '1966', 'journal-title': 'Advan. Chem. Phys.'} / Advan. Chem. Phys. by Čižek (1966)
10.1002/qua.560140503 / Intern. J. Quantum Chem. by Pople (1978)
10.1002/qua.560140504 / Intern. J. Quantum Chem. by Bartlett (1978)
10.1063/1.443164 / J. Chem. Phys. by Purvis (1982)
10.1063/1.452353 / J. Chem. Phys. by Purvis (1987)
10.1002/qua.560340842 / Intern. J. Quantum Chem. Quantum Chem. Symp. by Pople (1988)
10.1016/S0009-2614(89)87395-6 / Chem. Phys. Letters by Raghavachari (1989)
10.1063/1.453520 / J. Chem. Phys. by Pople (1987)
10.1002/qua.560400809 / Intern. J. Quantum Chem. Quantum Chem. Symp. by He (1991)
10.1007/BF01129119 / Theoret. Chim. Acta by He (1993)
10.1063/1.456998 / J. Chem. Phys. by Bauschlicher (1989)
10.1016/S0277-5387(00)81783-0 / Polyhedron by Armentrout (1988)
10.1063/1.448975 / J. Chem. Phys. by Hay (1985)
10.1016/0009-2614(93)80086-5 / Chem. Phys. Letters by Ehlers (1993)
10.1002/jcc.540130802 / J. Comput. Chem. by Jonas (1992)
10.1063/1.1674902 / J. Chem. Phys. by Ditchfield (1971)
10.1063/1.1677527 / J. Chem. Phys. by Hehre (1972)
10.1002/jcc.540040303 / J. Comput. Chem. by Clark (1983)
10.1103/PhysRev.46.618 / Phys. Rev. by Møller (1934)
10.1002/qua.560090204 / Intern. J. Quantum Chem. by Binkley (1975)
10.1063/1.1673095 / J. Chem. Phys. by Wachters (1970)
10.1063/1.433731 / J. Chem. Phys. by Hay (1977)
10.1063/1.1672702 / J. Chem. Phys. by Stewart (1970)
10.1002/qua.560290435 / Intern. J. Quantum Chem. by Sosa (1986)
10.1063/1.450026 / J. Chem. Phys. by Schlegel (1986)
{'key': '10.1016/0009-2614(94)00526-5_BIB19', 'volume': '92', 'author': 'Frisch', 'year': '1992'} by Frisch (1992)
10.1063/1.448517 / J. Chem. Phys. by Ahlrichs (1985)
10.1063/1.451044 / J. Chem. Phys. by Chong (1986)
10.1063/1.452617 / J. Chem. Phys. by Langhoff (1987)
10.1063/1.453594 / J. Chem. Phys. by Pettersson (1987)
10.1021/ic00052a007 / Inorg. Chem. by Neuhaus (1992)
10.1016/0009-2614(92)85751-U / Chem. Phys. Letters by Jonas (1992)
10.1021/om00035a054 / Organometallics by Veldkamp (1993)
10.1021/ic00008a001 / Inorg. Chem. by Marsden (1991)

Dates

Type	When
Created	23 years, 1 month ago (July 24, 2002, 11:47 p.m.)
Deposited	6 years, 3 months ago (May 5, 2019, 6:26 p.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 2:32 a.m.)
Issued	31 years, 1 month ago (July 1, 1994)
Published	31 years, 1 month ago (July 1, 1994)
Published Print	31 years, 1 month ago (July 1, 1994)

Funders 0

None

BibTeX

@article{B_hme_1994, title={The CuC bond dissociation energy of CuCH3. A dramatic failure of the QCISD(T) method}, volume={224}, ISSN={0009-2614}, url={http://dx.doi.org/10.1016/0009-2614(94)00526-5}, DOI={10.1016/0009-2614(94)00526-5}, number={1–2}, journal={Chemical Physics Letters}, publisher={Elsevier BV}, author={Böhme, Marlis and Frenking, Gernot}, year={1994}, month=jul, pages={195–199} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        11
      ]
    ],
    "date-time": "2024-02-11T07:32:47Z",
    "timestamp": 1707636767173
  },
  "reference-count": 36,
  "publisher": "Elsevier BV",
  "issue": "1-2",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1994,
            7,
            1
          ]
        ],
        "date-time": "1994-07-01T00:00:00Z",
        "timestamp": 773020800000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.elsevier.com/tdm/userlicense/1.0/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1994,
        7
      ]
    ]
  },
  "DOI": "10.1016/0009-2614(94)00526-5",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        25
      ]
    ],
    "date-time": "2002-07-25T03:47:40Z",
    "timestamp": 1027568860000
  },
  "page": "195-199",
  "source": "Crossref",
  "is-referenced-by-count": 41,
  "title": "The Cu\ue5f8C bond dissociation energy of CuCH3. A dramatic failure of the QCISD(T) method",
  "prefix": "10.1016",
  "volume": "224",
  "author": [
    {
      "given": "Marlis",
      "family": "B\u00f6hme",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "Gernot",
      "family": "Frenking",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB1",
      "doi-asserted-by": "crossref",
      "first-page": "349",
      "DOI": "10.1007/BF01117418",
      "volume": "80",
      "author": "Kutzelnigg",
      "year": "1991",
      "journal-title": "Theoret. Chim. Acta"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB2_1",
      "doi-asserted-by": "crossref",
      "first-page": "4256",
      "DOI": "10.1063/1.1727484",
      "volume": "45",
      "author": "\u010ci\u017eek",
      "year": "1966",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB2_2",
      "first-page": "35",
      "volume": "14",
      "author": "\u010ci\u017eek",
      "year": "1966",
      "journal-title": "Advan. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB3_1",
      "doi-asserted-by": "crossref",
      "first-page": "545",
      "DOI": "10.1002/qua.560140503",
      "volume": "14",
      "author": "Pople",
      "year": "1978",
      "journal-title": "Intern. J. Quantum Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB3_2",
      "doi-asserted-by": "crossref",
      "first-page": "561",
      "DOI": "10.1002/qua.560140504",
      "volume": "14",
      "author": "Bartlett",
      "year": "1978",
      "journal-title": "Intern. J. Quantum Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB3_3",
      "doi-asserted-by": "crossref",
      "first-page": "1910",
      "DOI": "10.1063/1.443164",
      "volume": "76",
      "author": "Purvis",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB3_4",
      "doi-asserted-by": "crossref",
      "first-page": "7041",
      "DOI": "10.1063/1.452353",
      "volume": "86",
      "author": "Purvis",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB4",
      "doi-asserted-by": "crossref",
      "first-page": "377",
      "DOI": "10.1002/qua.560340842",
      "volume": "22",
      "author": "Pople",
      "year": "1988",
      "journal-title": "Intern. J. Quantum Chem. Quantum Chem. Symp."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB5",
      "doi-asserted-by": "crossref",
      "first-page": "479",
      "DOI": "10.1016/S0009-2614(89)87395-6",
      "volume": "157",
      "author": "Raghavachari",
      "year": "1989",
      "journal-title": "Chem. Phys. Letters"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "5968",
      "DOI": "10.1063/1.453520",
      "volume": "87",
      "author": "Pople",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB7_1",
      "doi-asserted-by": "crossref",
      "first-page": "43",
      "DOI": "10.1002/qua.560400809",
      "volume": "25",
      "author": "He",
      "year": "1991",
      "journal-title": "Intern. J. Quantum Chem. Quantum Chem. Symp."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB7_2",
      "doi-asserted-by": "crossref",
      "first-page": "305",
      "DOI": "10.1007/BF01129119",
      "volume": "85",
      "author": "He",
      "year": "1993",
      "journal-title": "Theoret. Chim. Acta"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB8",
      "doi-asserted-by": "crossref",
      "first-page": "2399",
      "DOI": "10.1063/1.456998",
      "volume": "91",
      "author": "Bauschlicher",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB9",
      "doi-asserted-by": "crossref",
      "first-page": "1573",
      "DOI": "10.1016/S0277-5387(00)81783-0",
      "volume": "7",
      "author": "Armentrout",
      "year": "1988",
      "journal-title": "Polyhedron"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB10",
      "doi-asserted-by": "crossref",
      "first-page": "299",
      "DOI": "10.1063/1.448975",
      "volume": "82",
      "author": "Hay",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "111",
      "DOI": "10.1016/0009-2614(93)80086-5",
      "volume": "208",
      "author": "Ehlers",
      "year": "1993",
      "journal-title": "Chem. Phys. Letters"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB12",
      "doi-asserted-by": "crossref",
      "first-page": "919",
      "DOI": "10.1002/jcc.540130802",
      "volume": "13",
      "author": "Jonas",
      "year": "1992",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB13_1",
      "doi-asserted-by": "crossref",
      "first-page": "724",
      "DOI": "10.1063/1.1674902",
      "volume": "54",
      "author": "Ditchfield",
      "year": "1971",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB13_2",
      "doi-asserted-by": "crossref",
      "first-page": "2257",
      "DOI": "10.1063/1.1677527",
      "volume": "56",
      "author": "Hehre",
      "year": "1972",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB13_3",
      "doi-asserted-by": "crossref",
      "first-page": "294",
      "DOI": "10.1002/jcc.540040303",
      "volume": "4",
      "author": "Clark",
      "year": "1983",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB14_1",
      "doi-asserted-by": "crossref",
      "first-page": "618",
      "DOI": "10.1103/PhysRev.46.618",
      "volume": "46",
      "author": "M\u00f8ller",
      "year": "1934",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB14_2",
      "doi-asserted-by": "crossref",
      "first-page": "229",
      "DOI": "10.1002/qua.560090204",
      "volume": "9",
      "author": "Binkley",
      "year": "1975",
      "journal-title": "Intern. J. Quantum Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB15",
      "doi-asserted-by": "crossref",
      "first-page": "1033",
      "DOI": "10.1063/1.1673095",
      "volume": "52",
      "author": "Wachters",
      "year": "1970",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB16",
      "doi-asserted-by": "crossref",
      "first-page": "4377",
      "DOI": "10.1063/1.433731",
      "volume": "66",
      "author": "Hay",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "431",
      "DOI": "10.1063/1.1672702",
      "volume": "52",
      "author": "Stewart",
      "year": "1970",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB18_1",
      "doi-asserted-by": "crossref",
      "first-page": "1001",
      "DOI": "10.1002/qua.560290435",
      "volume": "29",
      "author": "Sosa",
      "year": "1986",
      "journal-title": "Intern. J. Quantum Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB18_2",
      "doi-asserted-by": "crossref",
      "first-page": "4530",
      "DOI": "10.1063/1.450026",
      "volume": "84",
      "author": "Schlegel",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB19",
      "volume": "92",
      "author": "Frisch",
      "year": "1992"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB20",
      "doi-asserted-by": "crossref",
      "first-page": "890",
      "DOI": "10.1063/1.448517",
      "volume": "82",
      "author": "Ahlrichs",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB21_1",
      "doi-asserted-by": "crossref",
      "first-page": "2850",
      "DOI": "10.1063/1.451044",
      "volume": "85",
      "author": "Chong",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB21_2",
      "doi-asserted-by": "crossref",
      "first-page": "268",
      "DOI": "10.1063/1.452617",
      "volume": "86",
      "author": "Langhoff",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB21_3",
      "doi-asserted-by": "crossref",
      "first-page": "481",
      "DOI": "10.1063/1.453594",
      "volume": "87",
      "author": "Pettersson",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB22_1",
      "doi-asserted-by": "crossref",
      "first-page": "5355",
      "DOI": "10.1021/ic00052a007",
      "volume": "31",
      "author": "Neuhaus",
      "year": "1992",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB22_2",
      "doi-asserted-by": "crossref",
      "first-page": "109",
      "DOI": "10.1016/0009-2614(92)85751-U",
      "volume": "194",
      "author": "Jonas",
      "year": "1992",
      "journal-title": "Chem. Phys. Letters"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB22_3",
      "doi-asserted-by": "crossref",
      "first-page": "4613",
      "DOI": "10.1021/om00035a054",
      "volume": "12",
      "author": "Veldkamp",
      "year": "1993",
      "journal-title": "Organometallics"
    },
    {
      "key": "10.1016/0009-2614(94)00526-5_BIB22_4",
      "doi-asserted-by": "crossref",
      "first-page": "1681",
      "DOI": "10.1021/ic00008a001",
      "volume": "30",
      "author": "Marsden",
      "year": "1991",
      "journal-title": "Inorg. Chem."
    }
  ],
  "container-title": "Chemical Physics Letters",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:0009261494005265?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:0009261494005265?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2019,
        5,
        5
      ]
    ],
    "date-time": "2019-05-05T22:26:53Z",
    "timestamp": 1557095213000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/0009261494005265"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1994,
        7
      ]
    ]
  },
  "references-count": 36,
  "journal-issue": {
    "issue": "1-2",
    "published-print": {
      "date-parts": [
        [
          1994,
          7
        ]
      ]
    }
  },
  "alternative-id": [
    "0009261494005265"
  ],
  "URL": "http://dx.doi.org/10.1016/0009-2614(94)00526-5",
  "relation": {},
  "ISSN": [
    "0009-2614"
  ],
  "subject": [],
  "container-title-short": "Chemical Physics Letters",
  "published": {
    "date-parts": [
      [
        1994,
        7
      ]
    ]
  }
}