DOI: 10.1021/jp972146z. A Density Functional Study of the Addition of Water to SO<sub>3</sub> in the Gas Phase and in Aqueous Solution

A Density Functional Study of the Addition of Water to SO3 in the Gas Phase and in Aqueous Solution

10.1021/jp972146z

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Meijer, E. J., & Sprik, M. (1998). A Density Functional Study of the Addition of Water to SO3 in the Gas Phase and in Aqueous Solution. The Journal of Physical Chemistry A, 102(17), 2893â2898.

Authors 2

Evert Jan Meijer (first)
Michiel Sprik (additional)

References 44 Referenced 78

{'key': 'jp972146zb00001/jp972146zb00001_1', 'volume-title': 'Microphysics of Clouds and Precipitation', 'author': 'Pruppacher H.', 'year': '1980'} / Microphysics of Clouds and Precipitation by Pruppacher H. (1980)
10.1146/annurev.eg.18.110193.000245 / J. Annul Rev. Energy Environ. by Abbatt J. P. D. (1993)
10.1126/science.255.5043.423 / Science by Charlson R. J. (1992)
10.1021/ja00090a045 / J. Am. Chem. Soc. by Hofmann M. (1994)
10.1021/ja00101a068 / J. Am. Chem. Soc. by Morokuma K. (1994)
10.1021/ja00101a067 / J. Am. Chem. Soc. by Kolb C. E. (1994)
10.1021/j100002a008 / J. Phys. Chem. by Phillips J. A. (1995)
10.1021/jp962414d / J. Phys. Chem. by Lovejoy E. R. (1996)
10.1002/anie.199513131 / Angew. Chem., Int. Ed. Engl. by Steudel R. (1995)
10.1098/rspa.1968.0036 / Proc. R. Soc. London, Ser. A by Bell R. P. (1968)
10.1021/ja00339a008 / J. Am. Chem. Soc. by Williams I. H. (1983)
10.1021/ja00120a005 / J. Am. Chem. Soc. by Wolfe S. (1995)
10.1021/ja00315a023 / J. Am. Chem. Soc. by Nguyen M. T. (1984)
10.1039/df9653900007 / Discuss. Faraday Soc. by Eigen M. (1965)
10.1103/PhysRevLett.55.2471 / Phys. Rev. Lett. by Car R. (1985)
10.1021/j100016a003 / J. Phys. Chem. by Tuckerman M. (1995)
10.1063/1.469654 / J. Chem. Phys. by Tuckerman M. (1995)
10.1021/ja970935o / J. Am. Chem. Soc. by Curioni A. (1997)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
10.1063/1.471957 / J. Chem. Phys. by Sprik M. (1996)
Galli, G.; Pasquarello, A. InComputer Simulation in Chemical Physics; Allen, M. P., Tildesley, D. J., Eds.NATO ASI Series C397; Kluwer: Dordrecht, 1993; p 261. (10.1007/978-94-011-1679-4_8)
10.1103/PhysRevB.43.1993 / Phys. Rev. B by Troullier N. (1991)
10.1103/PhysRevLett.48.1425 / Phys. Rev. Lett. by Kleinman L. (1982)
{'key': 'jp972146zb00025/jp972146zb00025_1', 'first-page': '2', 'author': 'Hutter J.', 'year': '1995', 'journal-title': 'CPMD Code'} / CPMD Code by Hutter J. (1995)
10.1063/1.467823 / J. Chem. Phys. by Tuckerman M. E. (1994)
10.1063/1.467824 / J. Chem. Phys. by Tuckerman M. E. (1994)
10.1016/0301-0104(89)80010-2 / Chem. Phys. by Ciccotti G. (1989)
10.1063/1.465599 / J. Chem. Phys. by Xantheas S. S. (1993)
{'key': 'jp972146zb00032/jp972146zb00032_1', 'volume-title': 'Quantum Chem. Symp.', 'author': 'Proynov E. I.', 'year': '1995'} / Quantum Chem. Symp. by Proynov E. I. (1995)
10.1021/j100029a039 / J. Phys. Chem. by Carslaw K. S. (1995)
10.1126/science.275.5301.817 / Science by Tuckerman M. E. (1997)
10.1063/1.433113 / J. Chem. Phys. by Jonas J. (1976)
{'key': 'jp972146zb00036/jp972146zb00036_1', 'first-page': '689', 'volume': '61', 'author': 'Gunnarson O.', 'year': '1991', 'journal-title': 'Rev. Mod. Phys.'} / Rev. Mod. Phys. by Gunnarson O. (1991)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
10.1063/1.464906 / J. Chem. Phys. by Johnson B. (1993)
10.1063/1.470829 / J. Chem. Phys. by Becke A. D. (1996)
10.1063/1.472933 / J. Chem. Phys. by Perdew J. P. (1996)
{'key': 'jp972146zb00041/jp972146zb00041_1', 'first-page': '42', 'volume': '2', 'author': 'Baerends E. J.', 'year': '1973', 'journal-title': 'Chem. Phys.'} / Chem. Phys. by Baerends E. J. (1973)
10.1016/0021-9991(92)90277-6 / J. Comput. Phys. by Velde G. (1992)
Guerra, C. F.; et al. InMethods and Techniques in ComputationalChemistry; Clementi, E., Corongiu, G., Eds.; STEF: Cagliari, 1995; Chapter 8, pp 305−395.
10.1016/0022-2860(73)87012-7 / Mol. Struct. by Kaldor A. (1973)
10.1063/1.555605 / J. Phys. Chem. Ref. Data by Harmony M. D. (1979)
{'key': 'jp972146zb00046/jp972146zb00046_1', 'first-page': '14', 'author': 'Case M. W.', 'year': '1985', 'journal-title': 'J. Phys. Chem. Ref. Data'} / J. Phys. Chem. Ref. Data by Case M. W. (1985)

Dates

Type	When
Created	23 years ago (July 26, 2002, 1:26 a.m.)
Deposited	3 years, 10 months ago (Oct. 8, 2021, 7:15 a.m.)
Indexed	2 months, 4 weeks ago (May 27, 2025, 5:05 a.m.)
Issued	27 years, 4 months ago (April 1, 1998)
Published	27 years, 4 months ago (April 1, 1998)
Published Online	27 years, 4 months ago (April 8, 1998)
Published Print	27 years, 4 months ago (April 1, 1998)

Funders 0

None

BibTeX

@article{Meijer_1998, title={A Density Functional Study of the Addition of Water to SO3 in the Gas Phase and in Aqueous Solution}, volume={102}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp972146z}, DOI={10.1021/jp972146z}, number={17}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Meijer, Evert Jan and Sprik, Michiel}, year={1998}, month=apr, pages={2893–2898} }

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      "first-page": "19911",
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      "journal-title": "Proc. R. Soc. London, Ser. A"
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    {
      "key": "jp972146zb00011/jp972146zb00011_1",
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      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp972146zb00013/jp972146zb00013_1",
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      "DOI": "10.1021/ja00315a023",
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      "author": "Nguyen M. T.",
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      "key": "jp972146zb00023/jp972146zb00023_1",
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      "key": "jp972146zb00041/jp972146zb00041_1",
      "first-page": "42",
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    },
    {
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      "first-page": "123",
      "DOI": "10.1016/0022-2860(73)87012-7",
      "volume": "15",
      "author": "Kaldor A.",
      "year": "1973",
      "journal-title": "Mol. Struct."
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    {
      "key": "jp972146zb00045/jp972146zb00045_1",
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      "first-page": "619",
      "DOI": "10.1063/1.555605",
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      "author": "Harmony M. D.",
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      "key": "jp972146zb00046/jp972146zb00046_1",
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