Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 July 2001

Volume 22, Issue 9

Pages 901–991

    1. MM3 parameterization for the B[BOND]N dative bond (pages 913–922)

      Luke Fisher and Thomas Holme

      Article first published online: 23 APR 2001 | DOI: 10.1002/jcc.1054

    2. Benzdiynes revisited: ab initio and density functional theory (pages 923–930)

      Sundaram Arulmozhiraja, Tadatake Sato and Akira Yabe

      Article first published online: 23 APR 2001 | DOI: 10.1002/jcc.1055

    3. Chemistry with ADF (pages 931–967)

      G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders and T. Ziegler

      Article first published online: 23 APR 2001 | DOI: 10.1002/jcc.1056

    4. 6-31G* basis set for third-row atoms (pages 976–984)

      Vitaly A. Rassolov, Mark A. Ratner, John A. Pople, Paul C. Redfern and Larry A. Curtiss

      Article first published online: 23 APR 2001 | DOI: 10.1002/jcc.1058

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