Journal of Computational Chemistry

Copyright © 2012 Wiley Periodicals, Inc., A Wiley Company

Cover image for Journal of Computational Chemistry

15 July 2004

Volume 25, Issue 9

Pages fmv–viii, 1109–1213

  1. Publisher's Note

    1. Top of page
    2. Publisher's Note
    1. Publisher's note: Sir John A. Pople, 1925–2004 (pages fmv–viii)

      Article first published online: 23 APR 2004 | DOI: 10.1002/jcc.20049

    1. Geometry optimization in density functional methods (pages 1109–1116)

      J. Ulises Reveles and Andreas M. Köster

      Article first published online: 31 MAR 2004 | DOI: 10.1002/jcc.20034

      Thumbnail image of graphical abstract
    2. Evaluation of the protein solvent-accessible surface using reduced representations in terms of critical points of the electron density (pages 1117–1126)

      A. Becue, N. Meurice, L. Leherte and D.P. Vercauteren

      Article first published online: 31 MAR 2004 | DOI: 10.1002/jcc.20033

      Thumbnail image of graphical abstract
    3. Conformational energies for 2-substituted butanes (pages 1127–1132)

      Kenneth B. Wiberg and Yi-Gui Wang

      Article first published online: 31 MAR 2004 | DOI: 10.1002/jcc.20036

      Thumbnail image of graphical abstract
    4. Sampling protein conformations and pathways (pages 1133–1148)

      Ming Lei, Maria I. Zavodszky, Leslie A. Kuhn and M. F. Thorpe

      Article first published online: 5 APR 2004 | DOI: 10.1002/jcc.20041

      Thumbnail image of graphical abstract
    5. Multicut-HDMR with an application to an ionospheric model (pages 1149–1156)

      Genyuan Li, Jacqueline Schoendorf, Tak-San Ho and Herschel Rabitz

      Article first published online: 13 APR 2004 | DOI: 10.1002/jcc.20040

      Thumbnail image of graphical abstract
    6. Development and testing of a general amber force field (pages 1157–1174)

      Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman and David A. Case

      Article first published online: 13 APR 2004 | DOI: 10.1002/jcc.20035

      Thumbnail image of graphical abstract
    7. Improvement of parallelization performance of GAMESS: Global sum and (semi-)direct integral calculation in multireference perturbation calculation (pages 1175–1183)

      Hiroaki Umeda, Shiro Koseki and Umpei Nagashima

      Article first published online: 15 APR 2004 | DOI: 10.1002/jcc.20042

      Thumbnail image of graphical abstract
    8. Theoretical study on the mechanism of the 1CHCl + NO2 reactions (pages 1184–1190)

      Jia-Xu Zhang, Jing-Yao Liu, Ze-Sheng Li and Chia-Chung Sun

      Article first published online: 15 APR 2004 | DOI: 10.1002/jcc.20043

      Thumbnail image of graphical abstract
    9. A precise boundary element method for macromolecular transport properties (pages 1191–1205)

      Sergio Aragon

      Article first published online: 15 APR 2004 | DOI: 10.1002/jcc.20045

      Thumbnail image of graphical abstract
    10. Improved model core potentials for the second- and third-row transition metals (pages 1206–1213)

      Christopher C. Lovallo and Mariusz Klobukowski

      Article first published online: 15 APR 2004 | DOI: 10.1002/jcc.20044

      Thumbnail image of graphical abstract

SEARCH

SEARCH BY CITATION