DOI: 10.1063/1.445455. <i>Ab initio</i> studies of the CO2–HF and N2O

Ab initio studies of the CO2–HF and N2O–HF complexes

10.1063/1.445455

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Ab initio calculations are used to confirm the geometries found experimentally by Klemperer et al. for the CO2–HF and N2O–HF complexes.

Bibliography

Sapse, A. M., & Howell, J. M. (1983). Ab initio studies of the CO2âHF and N2OâHF complexes. The Journal of Chemical Physics, 78(9), 5738â5740.

Authors 2

A. M. Sapse (first)
J. M. Howell (additional)

References 11 Referenced 40

10.1063/1.441114 / J. Chem. Phys. (1981)
10.1063/1.441115 / J. Chem. Phys. (1981)
10.1021/j100210a020 / J. Phys. Chem. (1982)
10.1021/ic00143a022 / J. Inorg. Chem. (1983)
{'key': '2024020716360421100_r4'}
10.1063/1.1677527 / J. Chem. Phys. (1972)
10.1002/jcc.540030212 / J. Comput. Chem. (1982)
{'key': '2024020716360421100_r7', 'first-page': '4', 'volume': '64', 'year': '1976', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1976)
10.1021/ja00457a002 / J. Am. Chem. Soc. (1977)
{'key': '2024020716360421100_r9'}
10.1007/BF00533485 / Theor. Chim. Acta (1973)

Dates

Type	When
Created	22 years, 5 months ago (Feb. 28, 2003, 11:47 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 5:47 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 9:23 a.m.)
Issued	42 years, 3 months ago (May 1, 1983)
Published	42 years, 3 months ago (May 1, 1983)
Published Print	42 years, 3 months ago (May 1, 1983)

Funders 0

None

BibTeX

@article{Sapse_1983, title={Ab initio studies of the CO2–HF and N2O–HF complexes}, volume={78}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.445455}, DOI={10.1063/1.445455}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Sapse, A. M. and Howell, J. M.}, year={1983}, month=may, pages={5738–5740} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T14:23:46Z",
    "timestamp": 1707575026937
  },
  "reference-count": 11,
  "publisher": "AIP Publishing",
  "issue": "9",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1983,
        5,
        1
      ]
    ]
  },
  "abstract": "<jats:p>Ab initio calculations are used to confirm the geometries found experimentally by Klemperer et al. for the CO2\u2013HF and N2O\u2013HF complexes.</jats:p>",
  "DOI": "10.1063/1.445455",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        2,
        28
      ]
    ],
    "date-time": "2003-02-28T16:47:06Z",
    "timestamp": 1046450826000
  },
  "page": "5738-5740",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 40,
  "title": "<i>Ab initio</i> studies of the CO2\u2013HF and N2O\u2013HF complexes",
  "prefix": "10.1063",
  "volume": "78",
  "author": [
    {
      "given": "A. M.",
      "family": "Sapse",
      "sequence": "first",
      "affiliation": [
        {
          "name": "City University of New York, Graduate Center and John Jay College, New York, New York 10019"
        }
      ]
    },
    {
      "given": "J. M.",
      "family": "Howell",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "City University of New York, Graduate Center and Brooklyn College, New York, New York 10019"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020716360421100_r1",
      "doi-asserted-by": "crossref",
      "first-page": "6544",
      "DOI": "10.1063/1.441114",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020716360421100_r1a",
      "doi-asserted-by": "crossref",
      "first-page": "6550",
      "DOI": "10.1063/1.441115",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020716360421100_r2",
      "doi-asserted-by": "crossref",
      "first-page": "2345",
      "DOI": "10.1021/j100210a020",
      "volume": "86",
      "year": "1982",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020716360421100_r3",
      "doi-asserted-by": "crossref",
      "first-page": "100",
      "DOI": "10.1021/ic00143a022",
      "volume": "22",
      "year": "1983",
      "journal-title": "J. Inorg. Chem."
    },
    {
      "key": "2024020716360421100_r4"
    },
    {
      "key": "2024020716360421100_r5",
      "doi-asserted-by": "crossref",
      "first-page": "2257",
      "DOI": "10.1063/1.1677527",
      "volume": "56",
      "year": "1972",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020716360421100_r6",
      "doi-asserted-by": "crossref",
      "first-page": "214",
      "DOI": "10.1002/jcc.540030212",
      "volume": "3",
      "year": "1982",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "2024020716360421100_r7",
      "first-page": "4",
      "volume": "64",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020716360421100_r8",
      "doi-asserted-by": "crossref",
      "first-page": "4875",
      "DOI": "10.1021/ja00457a002",
      "volume": "99",
      "year": "1977",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024020716360421100_r9"
    },
    {
      "key": "2024020716360421100_r10",
      "doi-asserted-by": "crossref",
      "first-page": "213",
      "DOI": "10.1007/BF00533485",
      "volume": "28",
      "year": "1973",
      "journal-title": "Theor. Chim. Acta"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/78/9/5738/18941926/5738_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/78/9/5738/18941926/5738_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        7
      ]
    ],
    "date-time": "2024-02-07T22:47:02Z",
    "timestamp": 1707346022000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/78/9/5738/776705/Ab-initio-studies-of-the-CO2-HF-and-N2O-HF"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1983,
        5,
        1
      ]
    ]
  },
  "references-count": 11,
  "journal-issue": {
    "issue": "9",
    "published-print": {
      "date-parts": [
        [
          1983,
          5,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.445455",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1983,
        5,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1983,
        5,
        1
      ]
    ]
  }
}