13
Views
6
CrossRef citations to date
0
Altmetric
Original Articles

Deriving intermolecular potentials for predicting the crystal structures of polar molecules

Pages 117-125 | Received 05 Jul 1994, Accepted 19 Jan 1995, Published online: 27 Sep 2006

References

  • Allen , F. H. , Davies , J. E. , Gallop , J. J. , Johnson , O. , Kennard , O. , Macrae , C. F. , Mitchell , E. M. , Mitchell , G. F. , Smith , J. M. and Watson , D. G. 1991 . J. chem. Inf. Comput. Sci. , 31 : 187
  • Allen , F. H. , Kennard , O. , Watson , D. G. , Brammer , L. , Orpen , A. G. and Taylor , R. 1987 . J. chem. Soc., Perkin Trans. II , : S1
  • Berkovitch-Yellin , Z. and Leiserowitz , L. 1980 . J. Am. chem. Soc. , 102 : 7677 1982, J. Am. chem. Soc., 104, 4052
  • Buckingham , A. D. and Fowler , P. W. 1985 . Can. J. Chem. , 63 : 2018 CADPAC5, 1992, The Cambridge Analytical Derivatives Package Issue 5, Cambridge, UK. A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone and M.-D. Su
  • Chickos , J. S. 1987 . Molecular Structure and Energetics , Edited by: Liebman , J. F. and Greenberg , A. Vol. 2 , 67 New York : VCH .
  • Cox , S. R. , Hsu , L. -Y. and Williams , D. E. 1981 . Acta crystallogr. A , 37 : 293
  • Desiraju , G. R. 1989 . Crystal Engineering: The Design Of Organic Solids , Amsterdam : Elsevier .
  • Filippini , G. and Gavezzotti , A. 1993 . Acta crystallogr. B , 49 : 868
  • Hariharan , P. C. and POple , J. A. 1973 . Theor. chim. Acta , 28 : 213
  • Mitchell , J. B. O. and Price , S. L. 1990 . J. Comput. Chem. , 11 : 1217
  • Pertsin , A. J. and Kitaigorodsky , A. I. 1987 . The Atom-Atom Potential Method , Berlin : Springer-Verlag .
  • Price , S. L. , Andrews , J. S. , Murray , C. W. and Amos , R. D. 1992 . J. Am. chem. Soc. , 114 : 8268
  • Stone , A. J. and Alderton , M. 1985 . Molec. Phys. , 56 : 1047
  • Williams , D. E. and Cox , S. R. 1984 . Acta crystallogr. B , 40 : 404
  • Willock , D. J. , Leslie , M. , Price , S. L. and Catlow , C. R. A. 1993 . Molec. Cryst. liquid Cryst. Sci. Technol. A , 235 : 217
  • Willock , D. J. , Price , S. L. , Leslie , M. and Catlow , C. R. A. 1995 . J. comput. Chem. , 16 : 628

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.