Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

March 2005

Volume 26, Issue 4

Pages 325–409

    1. Characterization of molecular orbitals by counting nodal regions (pages 325–333)

      Yasuyo Hatano, Shigeyoshi Yamamoto and Hiroshi Tatewaki

      Version of Record online: 7 JAN 2005 | DOI: 10.1002/jcc.20169

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    2. A new analytical method for computing solvent-accessible surface area of macromolecules and its gradients (pages 334–343)

      Shura Hayryan, Chin-Kun Hu, Jaroslav Skřivánek, Edik Hayryane and Imrich Pokorný

      Version of Record online: 10 JAN 2005 | DOI: 10.1002/jcc.20125

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    3. Stereodynamics of bond rotation in tertiary 1-naphthoic acid amides: A computational study (pages 365–373)

      Pablo Campomanes, M. Isabel Menéndez, Ramón López and Tomás L. Sordo

      Version of Record online: 12 JAN 2005 | DOI: 10.1002/jcc.20172

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    4. Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules (pages 384–388)

      Philippe Carbonniere, Tecla Lucca, Claude Pouchan, Nadia Rega and Vincenzo Barone

      Version of Record online: 13 JAN 2005 | DOI: 10.1002/jcc.20170

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