Journal of Computational Chemistry

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

Cover image for Journal of Computational Chemistry

August 2001

Volume 22, Issue 11

Pages 1125–1218

    1. Solvated ensemble averaging in the calculation of partial atomic charges (pages 1125–1137)

      M. Basma, S. Sundara, D. Çalgan, T. Vernali and R. J. Woods

      Article first published online: 4 JUN 2001 | DOI: 10.1002/jcc.1072

    2. OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach (pages 1138–1153)

      Annia Galano, J. Raúl Alvarez-Idaboy, Luis A. Montero and Annik Vivier–Bunge

      Article first published online: 4 JUN 2001 | DOI: 10.1002/jcc.1073

    3. Improved intermolecular force field for molecules containing H, C, N, and O atoms, with application to nucleoside and peptide crystals (pages 1154–1166)

      Donald E. Williams

      Article first published online: 4 JUN 2001 | DOI: 10.1002/jcc.1074

    4. Quantum chemical characterization of the cytosine: 2-Aminopurine base pair (pages 1167–1179)

      Edward C. Sherer and Christopher J. Cramer

      Article first published online: 5 JUN 2001 | DOI: 10.1002/jcc.1075

    5. Solvation in octanol: parametrization of the continuum MST model (pages 1180–1193)

      Carles Curutchet, Modesto Orozco and F. Javier Luque

      Article first published online: 5 JUN 2001 | DOI: 10.1002/jcc.1076

    6. When anomeric effects collide (pages 1194–1204)

      Christopher J. Cramer, Anne-Marie Kelterer and Alfred D. French

      Article first published online: 5 JUN 2001 | DOI: 10.1002/jcc.1077

    7. An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase (pages 1205–1218)

      Lukas D. Schuler, Xavier Daura and Wilfred F. van Gunsteren

      Article first published online: 5 JUN 2001 | DOI: 10.1002/jcc.1078

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