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Volumn 102, Issue 6, 1998, Pages 990-996

Structures and energies of various isomers of dithionous acid, H2S2O4, and of its anion HS2O4-1

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DISSOCIATION; ELECTRONIC STRUCTURE; HYDROGEN BONDS; IONS; ISOMERIZATION;

EID: 0032484822     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972658d     Document Type: Article
Times cited : (14)

References (29)
  • 1
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    • Sulfur Compounds, Part 200; for Part 199 see ref 2
    • Sulfur Compounds, Part 200; for Part 199 see ref 2.
  • 14
    • 0010434768 scopus 로고
    • Rinker, R. G.; Gordon, T. P.; Mason, D. M.; Carcoran, W. H. J. Phys. Chem. 1959, 63, 302. Lynn, S.; Rinker, R. G.; Corcoran, W. H. Ibid. 1964, 68, 2363. Rinker, R. G.; Gordon, T. P.; Corcoran, W. H. Inorg. Chem. 1964, 10, 1467.
    • (1959) J. Phys. Chem. , vol.63 , pp. 302
    • Rinker, R.G.1    Gordon, T.P.2    Mason, D.M.3    Carcoran, W.H.4
  • 15
    • 0000102987 scopus 로고
    • Rinker, R. G.; Gordon, T. P.; Mason, D. M.; Carcoran, W. H. J. Phys. Chem. 1959, 63, 302. Lynn, S.; Rinker, R. G.; Corcoran, W. H. Ibid. 1964, 68, 2363. Rinker, R. G.; Gordon, T. P.; Corcoran, W. H. Inorg. Chem. 1964, 10, 1467.
    • (1964) J. Phys. Chem. , vol.68 , pp. 2363
    • Lynn, S.1    Rinker, R.G.2    Corcoran, W.H.3
  • 16
    • 4243470564 scopus 로고
    • Rinker, R. G.; Gordon, T. P.; Mason, D. M.; Carcoran, W. H. J. Phys. Chem. 1959, 63, 302. Lynn, S.; Rinker, R. G.; Corcoran, W. H. Ibid. 1964, 68, 2363. Rinker, R. G.; Gordon, T. P.; Corcoran, W. H. Inorg. Chem. 1964, 10, 1467.
    • (1964) Inorg. Chem. , vol.10 , pp. 1467
    • Rinker, R.G.1    Gordon, T.P.2    Corcoran, W.H.3
  • 23
    • 0042106817 scopus 로고
    • Widmark, P.-O.; Malmqvist, P. A.; Roos, B. Theor. Chim. Acta 1990, 77, 291. Widmark, P.-O.; Persson B. J.; Roos, B. Theor. Chim. Acta 1991, 79, 419. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830.
    • (1990) Theor. Chim. Acta , vol.77 , pp. 291
    • Widmark, P.-O.1    Malmqvist, P.A.2    Roos, B.3
  • 24
    • 0009718858 scopus 로고
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830
    • Widmark, P.-O.; Malmqvist, P. A.; Roos, B. Theor. Chim. Acta 1990, 77, 291. Widmark, P.-O.; Persson B. J.; Roos, B. Theor. Chim. Acta 1991, 79, 419. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830.
    • (1991) Theor. Chim. Acta , vol.79 , pp. 419
    • Widmark, P.-O.1    Persson, B.J.2    Roos, B.3
  • 25
    • 11644323769 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by Werner, H.-J. and Knowles, P. J. with contributions from Almlöf, J.; Amos, R. D.; Deegan, M. J. O.; Elbert, S. T.; Hampel, C.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.
    • MOLPRO is a package of ab initio programs written by Werner, H.-J. and Knowles, P. J. with contributions from Almlöf, J.; Amos, R. D.; Deegan, M. J. O.; Elbert, S. T.; Hampel, C.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.
  • 26
    • 11644309304 scopus 로고    scopus 로고
    • The Supporting Information (Z-matrixes and coordinates of the optimized structures) can be obtained from the authors upon request. E-mail: steudel@schwefel.chem.tu-berlin.de
    • The Supporting Information (Z-matrixes and coordinates of the optimized structures) can be obtained from the authors upon request. E-mail: steudel@schwefel.chem.tu-berlin.de


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