Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 68, 1989 - Issue 5
22
Views
8
CrossRef citations to date
0
Altmetric
Original Articles

The HO2+ ion

A comparison of theoretical methods for the prediction of anharmonic vibrational frequencies

, , , &
Pages 1095-1109 | Received 22 Aug 1989, Accepted 29 Aug 1989, Published online: 26 Oct 2007

References

  • Dyke , J.M. , Jonathan , N.B.H. , Morris , A. and Winter , M.J. 1981 . Molec. Phys. , 44 : 1059 – 1059 .
  • DeFrees , D.J. and McLean , A.D. 1985 . J. chem. Phys. , 82 : 333 – 333 .
  • Roch , M. and Weber , J. 1985 . Chem. Phys. Lett. , 115 : 268 – 268 . and references cited therein
  • Staemmler , V. and Gianturco , F.A. 1985 . Int. J. quant. Chem. , 28 : 553 – 553 . and references cited therein
  • DeFrees , D.J. and McLean , A.D. 1986 . J. comput. Chem. , 7 : 321 – 321 .
  • Vazquez , G.J. , Buenker , R.J. and Peyerimhoff , S.D. 1986 . Molec. Phys. , 59 : 291 – 291 . and references cited therein
  • Pataki , L. , Mady , A. , Venter , R.D. , Poirier , R.A. , Peterson , M.R. and Csizmadia , I.G. 1986 . J. Molec. Structure (Theochem) , 135 : 189 – 189 . and references cited therein
  • Fitzgerald , G. and Schaefer , H.F. III . 1984 . J. chem. Phys. , 81 : 362 – 362 .
  • Schaefer , H.F. 1989 . Ion and Cluster Ion Spectroscopy and Structure , Edited by: Maier , J.P. Elsevier .
  • Raine , G.P. , Schaefer , H.F. and Handy , N.C. 1984 . J. chem. Phys. , 80 : 319 – 319 .
  • Noll , M. and Toennies , J.P. 1986 . J. chem. Phys. , 85 : 3313 – 3313 .
  • Gaw , J.F. , Yamaguchi , Y. and Schaefer , H.F. 1984 . J. chem. Phys. , 81 : 6395 – 6395 .
  • Gaw , J.F. , Yamaguchi , Y. , Schaefer , H.F. and Handy , N.C. 1986 . J. chem. Phys. , 85 : 5132 – 5132 .
  • Gaw , J.F. , Yamaguchi , Y. , Remington , R.B. , Osamura , Y. and Schaefer , H.F. 1986 . Chem. Phys. , 109 : 237 – 237 .
  • Huzinaga , S. 1965 . J. chem. Phys. , 42 : 1293 – 1293 .
  • Dunning , T.H. 1970 . J. chem. Phys. , 53 : 2823 – 2823 . Contraction 6111,41 on oxygen and 31 on hydrogen.
  • Van Duijneveldt , F.B. 1971 . IBM Tech. Res. Rep. RJ945 – RJ945 .
  • Roothaan , C.C.J. 1960 . Rev. mod. Phys. , 32 : 179 – 179 .
  • Pulay , P. 1977 . Modern Theoretical Chemistry , Edited by: Schaefer , H.F. III . Plenum . Goddard, J. D., Handy, N. C., and Schaefer III, H. F., 1979, J. chem. Phys., 71, 1525.
  • Pople , J.A. , Krishnan , R. , Schlegel , H.B. and Binkley , J.S. 1975 . Int. J. quant. Chem. , S13 : 225 – 225 . Saxe, P., Yamaguchi, Y., and Schaefer, H. F., 1982, J. chem. Phys., 77, 5647. Osamura, Y., Yamaguchi, Y., Saxe, P., Vincent, M. A., Gaw, J. F., and Schaefer, H. F., 1982, Chem. Phys., 72, 131.
  • Yamaguchi , Y. , Frisch , M. , Gaw , J.F. , Schaefer , H.F. and Binkley , J.S. 1986 . J. chem. Phys. , 84 : 2262 – 2262 .
  • Brooks , B.R. , Laidig , W.D. , Saxe , P. , Goddard , J.D. , Yamaguchi , Y. and Schaefer , H.F. 1980 . J. chem. Phys. , 72 : 4652 – 4652 . Rice, J. E., Amos, R. D., Handy, N. C., Lee, T. J., and Schaefer, H. F., 1986, J. chem. Phys., 85, 963.
  • Amos , R.D. , Gaw , J.F. , Handy , N.C. and Carter , S. 1988 . J. chem. Soc. Faraday Trans. II , 84 : 1247 – 1247 .
  • Bowman , J.M. 1986 . Accts chem. Res. , 19 : 202 – 202 .
  • Carter , S. and Handy , N.C. 1982 . Molec. Phys. , 47 : 1445 – 1445 . and references cited therein
  • Clabo , D.A. Jr. , Allen , W.D. , Remington , R.B. , Yamaguchi , Y. and Schaefer , H.F. 1988 . Chem. Phys. , 123 : 187 – 187 .
  • Fogarasi , G. and Pulay , P. Vibrational Spectra and Structure , Edited by: Durig , J.R. Vol. 14 , Elsevier . Gaw, J. F., and Handy, N. C., 1985, Chem. Phys. Lett., 121, 321. Gaw, J. F., and Handy, N. C., 1986, Geometrical Derivatives of Energy Surfaces and Molecular Properties, edited by P. Jørgenson and J. Simons (Reidel).
  • Pulay , P. , Meyer , W. and Boggs , J.E. 1978 . J. chem. Phys. , 68 : 5077 – 5077 . and references cited therein. Pulay, P., Lee, J.-G., and Boggs, J. E., 1983, J. chem. Phys., 79, 3382.
  • Carney , G.D. , Sprandel , L.L. and Kern , C.W. 1978 . Adv. chem. Phys. , 37 : 305 – 305 .
  • Herzberg , G. 1945 . Molecular Spectra and Molecular Structure, Vol. II, Infrared and Raman Spectra of Polyatomic molecules , Van Nostrand . Mills, I. M., 1972, Molecular Spectroscopy: Modern Research, Vol. 1, edited by R. N. Rao and C. W. Matthews (Academic Press), and references cited therein.
  • Romanowski , H. and Bowman , J.M. 1985 . Quant. Chem. Prog. Exch Bull. , 5 : 64 – 64 . (POLYMODE)
  • Bowman , J.M. 1978 . J. chem. Phys. , 68 : 608 – 608 . Christoffel, K. M., and Bowman, J. M., 1982, Chem. Phys. Lett., 85, 220. Romanowski, H., and Bowman, J. M., 1984, Chem. Phys. Lett., 110, 235. Romanowski, H., Bowman, J. M., and Harding, L. B., 1985, J. chem. Phys., 82, 4155.
  • Watson , J.K.G. 1968 . Molec. Phys. , 15 : 479 – 479 . and references cited therein
  • Carter , S. , Handy , N.C. and Sutcliffe , B.T. 1983 . Molec. Phys. , 49 : 745 – 745 .
  • Carter , S. and Handy , N.C. 1982 . Molec. Phys. , 47 : 1445 – 1445 . Carter, S., and Handy, N. C., 1984, Molec. Phys., 52, 1367. Carter, S., and Handy, N. C., 1986, Molec. Phys., 57, 175. Bucknell, M. G., Handy, N. C., and Boys, S. F., 1974, Molec. Phys., 28, 759. Bucknell, M. G., and Handy, N. C., 1974, Molec. Phys., 28, 777.
  • Whitehead , R.J. and Handy , N.C. 1975 . J. molec. Spectrosc. , 55 : 356 – 356 .
  • Pulay , P. 1981 . Abstracts of Texas Conference on Theoretical Approaches to Chemical Dynamics , 47 – 47 . The Institute of Theoretical Chemistry of the University of Texas .
  • Dunn , K.M. , Boggs , J.E. and Pulay , P. 1986 . J. chem. Phys. , 85 : 5838 – 5838 .
  • Dunn , K.M. , Boggs , J.E. and Pulay , P. 1987 . J. chem. Phys. , 86 : 5088 – 5088 . Dunn, K. M., 1987, Chem. Phys. Lett., 139, 165.
  • Sellers , H. 1983 . J. molec. Struct. (Theochem) , 92 : 361 – 361 .
  • Roos , B.O. and Siegbahn , P.E.M. 1980 . Int. J. quant. Chem. , 17 : 485 – 485 .
  • Buenker , R.J. and Peyerimhoff . 1974 . Theor. chim. Acta , 35 : 33 – 33 . 1975, Ibid., 39, 217. Thuremann, K. M., Romelt, J., Peyerimhoff, S. D., and Buenker, R. J., 1977, Int. J. quant. Chem., 11, 743.
  • Davidson , E.R. 1975 . J. comput. Phys. , 17 : 87 – 87 .
  • Langhoff , S.R. and Davidson , E.R. 1974 . Int. J. quant. Chem. , 8 : 61 – 61 .
  • Badger , R.M. 1934 . J. chem. Phys. , 2 : 128 – 128 . 1935, Ibid., 3, 710.
  • Amos , R.D. 1987 . J. chem. Soc. Faraday Trans. II , 83 : 1595 – 1595 .
  • Simons , G. , Parr , R.G. and Finlan , J.M. 1973 . J. chem. Phys. , 59 : 3229 – 3229 .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.