Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

30 April 2003

Volume 24, Issue 6

Pages 669–796

    1. Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model (pages 669–681)

      Maurizio Cossi, Nadia Rega, Giovanni Scalmani and Vincenzo Barone

      Article first published online: 11 MAR 2003 | DOI: 10.1002/jcc.10189

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    2. Prediction of protein secondary structure content by artificial neural network (pages 727–731)

      Yu-Dong Cai, Xiao-Jun Liu and Kuo-Chen Chou

      Article first published online: 14 MAR 2003 | DOI: 10.1002/jcc.10222

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    3. Radial quadrature for multiexponential integrands (pages 732–740)

      Peter M. W. Gill and Siu-Hung Chien

      Article first published online: 17 MAR 2003 | DOI: 10.1002/jcc.10211

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    4. Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints (pages 760–769)

      Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel and Michael J. Frisch

      Article first published online: 20 MAR 2003 | DOI: 10.1002/jcc.10156

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    5. Thermally induced phase transition in helical comblike poly(β-peptide)s: An atomistic simulation (pages 770–778)

      David Zanuy, Carlos Alemán, Manuel Laso and Sebastián Muñoz-Guerra

      Article first published online: 20 MAR 2003 | DOI: 10.1002/jcc.10214

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    6. Free energy perturbation and molecular dynamics calculations of copper binding to azurin (pages 779–785)

      Matteo Pappalardo, Danilo Milardi, Domenico M. Grasso and Carmelo La Rosa

      Article first published online: 20 MAR 2003 | DOI: 10.1002/jcc.10213

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    7. Statistical analysis of the estimation of distance measures (pages 786–796)

      Mark Pinsky, Dina Yogev-Einot and David Avnir

      Article first published online: 20 MAR 2003 | DOI: 10.1002/jcc.10202

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