DOI: 10.1038/417269a. Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles

Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles

10.1038/417269a

Crossref journal-article

Springer Science and Business Media LLC

Nature (297)

Bibliography

Devlin, J. P., Uras, N., Sadlej, J., & Buch, V. (2002). Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles. Nature, 417(6886), 269â271.

Authors 4

J. P. Devlin (first)
N. Uras (additional)
J. Sadlej (additional)
V. Buch (additional)

References 28 Referenced 179

Packer, M. J. & Clary, D. C. Interaction of HCl with water clusters: (H2O)nHCl, n = 1-3. J. Phys. Chem. 99, 14323–14333 (1995) (10.1021/j100039a020) / J. Phys. Chem. by MJ Packer (1995)
Re, S., Osamura, Y., Suzuki, Y. & Schaefer, H. F. Structures and stability of hydrated clusters of hydrogen chloride, HCl(H2O)n, n = 1-5. J. Chem. Phys. 109, 973–977 (1998) (10.1063/1.476640) / J. Chem. Phys. by S Re (1998)
Bacelo, D. E., Binning, R. C. & Ishikawa, Y. Ab initio Monte Carlo simulated annealing study of HCl(H2O)n (n = 3,4) clusters. J. Phys. Chem. A 103, 4631–4640 (1999) (10.1021/jp9843003) / J. Phys. Chem. A by DE Bacelo (1999)
Chaban, G. M., Gerber, R. B. & Janda, K. C. Transition from hydrogen bonding to ionization in (HCl)n(NH3)n and (HCl)n(H2O)n clusters. J. Phys. Chem. A 105, 8323–8332 (2000) (10.1021/jp011567k) / J. Phys. Chem. A by GM Chaban (2000)
Hanson, D. R. & Ravishankara, A. R. Investigation of the reactive and non-reactive processes involving ClONO2 and HCl on water and nitric acid doped ice. J. Phys. Chem. 96, 2682–2691 (1992) (10.1021/j100185a052) / J. Phys. Chem. by DR Hanson (1992)
Horn, A. B., Chesters, M. A., McCoustra, M. R. S. & Sodeau, J. R. Adsorption of stratospherically important molecules on thin D2O films using reflection absorption infrared spectroscopy. J. Chem. Soc. Faraday Trans. 88, 1077–1078 (1992) (10.1039/ft9928801077) / J. Chem. Soc. Faraday Trans. by AB Horn (1992)
Chu, L. T., Leu, M. T. & Keyser, L. F. Uptake of HCl in water ice and nitric acid ice films. J. Phys. Chem. 97, 7779–7785 (1993) (10.1021/j100131a057) / J. Phys. Chem. by LT Chu (1993)
Delzeit, L., Rowland, B. & Devlin, J. P. Infrared-spectra of HCl complexed/ionized in amorphous hydrates and at ice surfaces in the 15-90 K range. J. Phys. Chem. 97, 10312–10318 (1993) (10.1021/j100142a009) / J. Phys. Chem. by L Delzeit (1993)
Robertson, S. H. & Clary, D. C. Solvation of hydrogen halides on the surface of ice. Faraday Discuss. 100, 309–320 (1995) (10.1039/fd9950000309) / Faraday Discuss. by SH Robertson (1995)
Banham, S. F., Horn, A. B., Koch, T. G. & Sodeau, J. R. Ionisation and solvation of stratospherically relevant molecules on ice films. Faraday Discuss. 100, 321–332 (1995) (10.1039/fd9950000321) / Faraday Discuss. by SF Banham (1995)
Graham, J. D. & Roberts, J. T. Interaction of HCl with crystalline and amorphous ice—implications for the mechanisms of ice-catalyzed reactions. Geophys. Res. Lett. 22, 251–254 (1995) (10.1029/94GL03022) / Geophys. Res. Lett. by JD Graham (1995)
Gertner, B. J. & Hynes, J. T. Model molecular dynamics simulation of hydrochloric acid ionization at the surface of stratospheric ice. Faraday Discuss. 110, 301–322 (1998) (10.1039/a801721b) / Faraday Discuss. by BJ Gertner (1998)
Isakson, M. J. & Sitz, G. O. Adsorption and desorption of HCl on ice. J. Phys. Chem. A 103, 2044–2049 (1999) (10.1021/jp984106g) / J. Phys. Chem. A by MJ Isakson (1999)
Kang, H., Shin, T. H., Park, S. C., Kim, I. K. & Han, S. J. Acidity of hydrogen chloride on ice. J. Am. Chem. Soc. 122, 9842–9843 (2000) (10.1021/ja000218l) / J. Am. Chem. Soc. by H Kang (2000)
Allouche, A., Couturier-Tamburelli, I. & Chiavassa, T. Ab initio model study of the mechanism of hydrogen chloride ionization on ice. J. Phys. Chem. B 104, 1497–1506 (2000) (10.1021/jp991370g) / J. Phys. Chem. B by A Allouche (2000)
Svanberg, M., Pettersson, J. B. C. & Bolton, K. J. Coupled QM/MM molecular dynamics simulations of HCl interacting with ice surfaces and water clusters—Evidence of rapid ionization. J. Phys. Chem. A 104, 5787–5798 (2000) (10.1021/jp0012698) / J. Phys. Chem. A by M Svanberg (2000)
Mantz, Y. A. et al. The interaction of HCl with the (0001) face of hexagonal ice studied theoretically via Car-Parrinello molecular dynamics. Chem. Phys. Lett. 348, 285–292 (2001) (10.1016/S0009-2614(01)01103-4) / Chem. Phys. Lett. by YA Mantz (2001)
Devlin, J. P. & Buch, V. Surface of ice as viewed from combined spectroscopic and computer modeling studies. J. Phys. Chem. 99, 16534–16548 (1995) (10.1021/j100045a010) / J. Phys. Chem. by JP Devlin (1995)
Zundel, G. Hydrogen bonds with large proton polarizability and proton transfer processes in electrochemistry and biology. Adv. Chem. Phys. 111, 1–217 (2000) / Adv. Chem. Phys. by G Zundel (2000)
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79, 926–935 (1983) (10.1063/1.445869) / J. Chem. Phys. by WL Jorgensen (1983)
Votava, C., Ahlrichs, R. & Geiger, A. The HCl-HCl interaction: From quantum mechanical calculations to properties of the liquid. J. Chem. Phys. 78, 6841–6848 (1983) (10.1063/1.444630) / J. Chem. Phys. by C Votava (1983)
Uras, N., Buch, V. & Devlin, J. P. Hydrogen bond surface chemistry: interaction of NH3 with an ice particle. J. Phys. Chem. B 104, 9203–9209 (2000) (10.1021/jp0017240) / J. Phys. Chem. B by N Uras (2000)
Devlin, J. P., Joyce, C. & Buch, V. Infrared spectra and structures of large water clusters. J. Phys. Chem. A 104, 1974–1977 (2000) (10.1021/jp994416e) / J. Phys. Chem. A by JP Devlin (2000)
Agmon, N. The Grotthus mechanism. Chem. Phys. Lett. 244, 456–462 (1995) (10.1016/0009-2614(95)00905-J) / Chem. Phys. Lett. by N Agmon (1995)
Ando, K. & Hynes, J. T. Molecular mechanism of HCl acid ionization in water. J. Phys. Chem. B 101, 10464–10478 (1997) (10.1021/jp970173j) / J. Phys. Chem. B by K Ando (1997)
Lundgren, J. O. & Olovsson, I. The crystal structure of hydrogen chloride dihydrate. Acta Crystallogr. 23, 966–971 (1967) (10.1107/S0365110X6700413X) / Acta Crystallogr. by JO Lundgren (1967)
Dunning, T. H. Gaussian basis sets for use in correlated molecular calculations. J. Chem. Phys. 90, 1007–1023 (1989) (10.1063/1.456153) / J. Chem. Phys. by TH Dunning (1989)
Frisch, M. J. et al. Gaussian 98 (Gaussian, Pittsburgh, 1998) / Gaussian 98 by MJ Frisch (1998)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 4:57 a.m.)
Deposited	2 years, 3 months ago (May 17, 2023, 8:32 p.m.)
Indexed	1 month, 2 weeks ago (July 11, 2025, 9:08 p.m.)
Issued	23 years, 3 months ago (May 1, 2002)
Published	23 years, 3 months ago (May 1, 2002)
Published Print	23 years, 3 months ago (May 1, 2002)

Funders 0

None

BibTeX

@article{Devlin_2002, title={Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles}, volume={417}, ISSN={1476-4687}, url={http://dx.doi.org/10.1038/417269a}, DOI={10.1038/417269a}, number={6886}, journal={Nature}, publisher={Springer Science and Business Media LLC}, author={Devlin, J. P. and Uras, N. and Sadlej, J. and Buch, V.}, year={2002}, month=may, pages={269–271} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        12
      ]
    ],
    "date-time": "2025-07-12T01:08:23Z",
    "timestamp": 1752282503267
  },
  "reference-count": 28,
  "publisher": "Springer Science and Business Media LLC",
  "issue": "6886",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2002,
            5,
            1
          ]
        ],
        "date-time": "2002-05-01T00:00:00Z",
        "timestamp": 1020211200000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "http://www.springer.com/tdm"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2002,
        5
      ]
    ]
  },
  "DOI": "10.1038/417269a",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T08:57:00Z",
    "timestamp": 1027673820000
  },
  "page": "269-271",
  "source": "Crossref",
  "is-referenced-by-count": 179,
  "title": "Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles",
  "prefix": "10.1038",
  "volume": "417",
  "author": [
    {
      "given": "J. P.",
      "family": "Devlin",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "N.",
      "family": "Uras",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "J.",
      "family": "Sadlej",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "V.",
      "family": "Buch",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "297",
  "reference": [
    {
      "key": "BF417269a_CR1",
      "doi-asserted-by": "publisher",
      "first-page": "14323",
      "DOI": "10.1021/j100039a020",
      "volume": "99",
      "author": "MJ Packer",
      "year": "1995",
      "unstructured": "Packer, M. J. & Clary, D. C. Interaction of HCl with water clusters: (H2O)nHCl, n = 1-3. J. Phys. Chem. 99, 14323\u201314333 (1995)",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "BF417269a_CR2",
      "doi-asserted-by": "publisher",
      "first-page": "973",
      "DOI": "10.1063/1.476640",
      "volume": "109",
      "author": "S Re",
      "year": "1998",
      "unstructured": "Re, S., Osamura, Y., Suzuki, Y. & Schaefer, H. F. Structures and stability of hydrated clusters of hydrogen chloride, HCl(H2O)n, n = 1-5. J. Chem. Phys. 109, 973\u2013977 (1998)",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "BF417269a_CR3",
      "doi-asserted-by": "publisher",
      "first-page": "4631",
      "DOI": "10.1021/jp9843003",
      "volume": "103",
      "author": "DE Bacelo",
      "year": "1999",
      "unstructured": "Bacelo, D. E., Binning, R. C. & Ishikawa, Y. Ab initio Monte Carlo simulated annealing study of HCl(H2O)n (n = 3,4) clusters. J. Phys. Chem. A 103, 4631\u20134640 (1999)",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "BF417269a_CR4",
      "doi-asserted-by": "publisher",
      "first-page": "8323",
      "DOI": "10.1021/jp011567k",
      "volume": "105",
      "author": "GM Chaban",
      "year": "2000",
      "unstructured": "Chaban, G. M., Gerber, R. B. & Janda, K. C. Transition from hydrogen bonding to ionization in (HCl)n(NH3)n and (HCl)n(H2O)n clusters. J. Phys. Chem. A 105, 8323\u20138332 (2000)",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "BF417269a_CR5",
      "doi-asserted-by": "publisher",
      "first-page": "2682",
      "DOI": "10.1021/j100185a052",
      "volume": "96",
      "author": "DR Hanson",
      "year": "1992",
      "unstructured": "Hanson, D. R. & Ravishankara, A. R. Investigation of the reactive and non-reactive processes involving ClONO2 and HCl on water and nitric acid doped ice. J. Phys. Chem. 96, 2682\u20132691 (1992)",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "BF417269a_CR6",
      "doi-asserted-by": "publisher",
      "first-page": "1077",
      "DOI": "10.1039/ft9928801077",
      "volume": "88",
      "author": "AB Horn",
      "year": "1992",
      "unstructured": "Horn, A. B., Chesters, M. A., McCoustra, M. R. S. & Sodeau, J. R. Adsorption of stratospherically important molecules on thin D2O films using reflection absorption infrared spectroscopy. J. Chem. Soc. Faraday Trans. 88, 1077\u20131078 (1992)",
      "journal-title": "J. Chem. Soc. Faraday Trans."
    },
    {
      "key": "BF417269a_CR7",
      "doi-asserted-by": "publisher",
      "first-page": "7779",
      "DOI": "10.1021/j100131a057",
      "volume": "97",
      "author": "LT Chu",
      "year": "1993",
      "unstructured": "Chu, L. T., Leu, M. T. & Keyser, L. F. Uptake of HCl in water ice and nitric acid ice films. J. Phys. Chem. 97, 7779\u20137785 (1993)",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "BF417269a_CR8",
      "doi-asserted-by": "publisher",
      "first-page": "10312",
      "DOI": "10.1021/j100142a009",
      "volume": "97",
      "author": "L Delzeit",
      "year": "1993",
      "unstructured": "Delzeit, L., Rowland, B. & Devlin, J. P. Infrared-spectra of HCl complexed/ionized in amorphous hydrates and at ice surfaces in the 15-90\u2009K range. J. Phys. Chem. 97, 10312\u201310318 (1993)",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "BF417269a_CR9",
      "doi-asserted-by": "publisher",
      "first-page": "309",
      "DOI": "10.1039/fd9950000309",
      "volume": "100",
      "author": "SH Robertson",
      "year": "1995",
      "unstructured": "Robertson, S. H. & Clary, D. C. Solvation of hydrogen halides on the surface of ice. Faraday Discuss. 100, 309\u2013320 (1995)",
      "journal-title": "Faraday Discuss."
    },
    {
      "key": "BF417269a_CR10",
      "doi-asserted-by": "publisher",
      "first-page": "321",
      "DOI": "10.1039/fd9950000321",
      "volume": "100",
      "author": "SF Banham",
      "year": "1995",
      "unstructured": "Banham, S. F., Horn, A. B., Koch, T. G. & Sodeau, J. R. Ionisation and solvation of stratospherically relevant molecules on ice films. Faraday Discuss. 100, 321\u2013332 (1995)",
      "journal-title": "Faraday Discuss."
    },
    {
      "key": "BF417269a_CR11",
      "doi-asserted-by": "publisher",
      "first-page": "251",
      "DOI": "10.1029/94GL03022",
      "volume": "22",
      "author": "JD Graham",
      "year": "1995",
      "unstructured": "Graham, J. D. & Roberts, J. T. Interaction of HCl with crystalline and amorphous ice\u2014implications for the mechanisms of ice-catalyzed reactions. Geophys. Res. Lett. 22, 251\u2013254 (1995)",
      "journal-title": "Geophys. Res. Lett."
    },
    {
      "key": "BF417269a_CR12",
      "doi-asserted-by": "publisher",
      "first-page": "301",
      "DOI": "10.1039/a801721b",
      "volume": "110",
      "author": "BJ Gertner",
      "year": "1998",
      "unstructured": "Gertner, B. J. & Hynes, J. T. Model molecular dynamics simulation of hydrochloric acid ionization at the surface of stratospheric ice. Faraday Discuss. 110, 301\u2013322 (1998)",
      "journal-title": "Faraday Discuss."
    },
    {
      "key": "BF417269a_CR13",
      "doi-asserted-by": "publisher",
      "first-page": "2044",
      "DOI": "10.1021/jp984106g",
      "volume": "103",
      "author": "MJ Isakson",
      "year": "1999",
      "unstructured": "Isakson, M. J. & Sitz, G. O. Adsorption and desorption of HCl on ice. J. Phys. Chem. A 103, 2044\u20132049 (1999)",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "BF417269a_CR14",
      "doi-asserted-by": "publisher",
      "first-page": "9842",
      "DOI": "10.1021/ja000218l",
      "volume": "122",
      "author": "H Kang",
      "year": "2000",
      "unstructured": "Kang, H., Shin, T. H., Park, S. C., Kim, I. K. & Han, S. J. Acidity of hydrogen chloride on ice. J. Am. Chem. Soc. 122, 9842\u20139843 (2000)",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "BF417269a_CR15",
      "doi-asserted-by": "publisher",
      "first-page": "1497",
      "DOI": "10.1021/jp991370g",
      "volume": "104",
      "author": "A Allouche",
      "year": "2000",
      "unstructured": "Allouche, A., Couturier-Tamburelli, I. & Chiavassa, T. Ab initio model study of the mechanism of hydrogen chloride ionization on ice. J. Phys. Chem. B 104, 1497\u20131506 (2000)",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "BF417269a_CR16",
      "doi-asserted-by": "publisher",
      "first-page": "5787",
      "DOI": "10.1021/jp0012698",
      "volume": "104",
      "author": "M Svanberg",
      "year": "2000",
      "unstructured": "Svanberg, M., Pettersson, J. B. C. & Bolton, K. J. Coupled QM/MM molecular dynamics simulations of HCl interacting with ice surfaces and water clusters\u2014Evidence of rapid ionization. J. Phys. Chem. A 104, 5787\u20135798 (2000)",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "BF417269a_CR17",
      "doi-asserted-by": "publisher",
      "first-page": "285",
      "DOI": "10.1016/S0009-2614(01)01103-4",
      "volume": "348",
      "author": "YA Mantz",
      "year": "2001",
      "unstructured": "Mantz, Y. A. et al. The interaction of HCl with the (0001) face of hexagonal ice studied theoretically via Car-Parrinello molecular dynamics. Chem. Phys. Lett. 348, 285\u2013292 (2001)",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "BF417269a_CR18",
      "doi-asserted-by": "publisher",
      "first-page": "16534",
      "DOI": "10.1021/j100045a010",
      "volume": "99",
      "author": "JP Devlin",
      "year": "1995",
      "unstructured": "Devlin, J. P. & Buch, V. Surface of ice as viewed from combined spectroscopic and computer modeling studies. J. Phys. Chem. 99, 16534\u201316548 (1995)",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "BF417269a_CR19",
      "first-page": "1",
      "volume": "111",
      "author": "G Zundel",
      "year": "2000",
      "unstructured": "Zundel, G. Hydrogen bonds with large proton polarizability and proton transfer processes in electrochemistry and biology. Adv. Chem. Phys. 111, 1\u2013217 (2000)",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "BF417269a_CR20",
      "doi-asserted-by": "publisher",
      "first-page": "926",
      "DOI": "10.1063/1.445869",
      "volume": "79",
      "author": "WL Jorgensen",
      "year": "1983",
      "unstructured": "Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79, 926\u2013935 (1983)",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "BF417269a_CR21",
      "doi-asserted-by": "publisher",
      "first-page": "6841",
      "DOI": "10.1063/1.444630",
      "volume": "78",
      "author": "C Votava",
      "year": "1983",
      "unstructured": "Votava, C., Ahlrichs, R. & Geiger, A. The HCl-HCl interaction: From quantum mechanical calculations to properties of the liquid. J. Chem. Phys. 78, 6841\u20136848 (1983)",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "BF417269a_CR22",
      "doi-asserted-by": "publisher",
      "first-page": "9203",
      "DOI": "10.1021/jp0017240",
      "volume": "104",
      "author": "N Uras",
      "year": "2000",
      "unstructured": "Uras, N., Buch, V. & Devlin, J. P. Hydrogen bond surface chemistry: interaction of NH3 with an ice particle. J. Phys. Chem. B 104, 9203\u20139209 (2000)",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "BF417269a_CR23",
      "doi-asserted-by": "publisher",
      "first-page": "1974",
      "DOI": "10.1021/jp994416e",
      "volume": "104",
      "author": "JP Devlin",
      "year": "2000",
      "unstructured": "Devlin, J. P., Joyce, C. & Buch, V. Infrared spectra and structures of large water clusters. J. Phys. Chem. A 104, 1974\u20131977 (2000)",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "BF417269a_CR24",
      "doi-asserted-by": "publisher",
      "first-page": "456",
      "DOI": "10.1016/0009-2614(95)00905-J",
      "volume": "244",
      "author": "N Agmon",
      "year": "1995",
      "unstructured": "Agmon, N. The Grotthus mechanism. Chem. Phys. Lett. 244, 456\u2013462 (1995)",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "BF417269a_CR25",
      "doi-asserted-by": "publisher",
      "first-page": "10464",
      "DOI": "10.1021/jp970173j",
      "volume": "101",
      "author": "K Ando",
      "year": "1997",
      "unstructured": "Ando, K. & Hynes, J. T. Molecular mechanism of HCl acid ionization in water. J. Phys. Chem. B 101, 10464\u201310478 (1997)",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "BF417269a_CR26",
      "doi-asserted-by": "publisher",
      "first-page": "966",
      "DOI": "10.1107/S0365110X6700413X",
      "volume": "23",
      "author": "JO Lundgren",
      "year": "1967",
      "unstructured": "Lundgren, J. O. & Olovsson, I. The crystal structure of hydrogen chloride dihydrate. Acta Crystallogr. 23, 966\u2013971 (1967)",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "BF417269a_CR27",
      "doi-asserted-by": "publisher",
      "first-page": "1007",
      "DOI": "10.1063/1.456153",
      "volume": "90",
      "author": "TH Dunning",
      "year": "1989",
      "unstructured": "Dunning, T. H. Gaussian basis sets for use in correlated molecular calculations. J. Chem. Phys. 90, 1007\u20131023 (1989)",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "BF417269a_CR28",
      "volume-title": "Gaussian 98",
      "author": "MJ Frisch",
      "year": "1998",
      "unstructured": "Frisch, M. J. et al. Gaussian 98 (Gaussian, Pittsburgh, 1998)"
    }
  ],
  "container-title": "Nature",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://www.nature.com/articles/417269a.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "http://www.nature.com/articles/417269a",
      "content-type": "text/html",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "http://www.nature.com/articles/417269a.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        5,
        18
      ]
    ],
    "date-time": "2023-05-18T00:32:08Z",
    "timestamp": 1684369928000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://www.nature.com/articles/417269a"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2002,
        5
      ]
    ]
  },
  "references-count": 28,
  "journal-issue": {
    "issue": "6886",
    "published-print": {
      "date-parts": [
        [
          2002,
          5
        ]
      ]
    }
  },
  "alternative-id": [
    "BF417269a"
  ],
  "URL": "http://dx.doi.org/10.1038/417269a",
  "relation": {},
  "ISSN": [
    "0028-0836",
    "1476-4687"
  ],
  "subject": [],
  "container-title-short": "Nature",
  "published": {
    "date-parts": [
      [
        2002,
        5
      ]
    ]
  }
}