International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Modeling of Vibrational Spectroscopies


Volume 104, Issue 5

Pages 587–845

Issue edited by: Benoît Champagne

    1. You have free access to this content
      Introduction: Modeling vibrational spectroscopies (pages 587–588)

      Benoît Champagne and Yngve Öhrn

      Version of Record online: 31 MAY 2005 | DOI: 10.1002/qua.20680

    2. Spectroscopic and DFT studies of donor–acceptor molecules containing phenylquinoline and phenothiazine moieties in various redox states (pages 635–644)

      R. Ponce Ortiz, R. Malavé Osuna, M. C. Ruiz Delgado, J. Casado, S. A. Jenekhe, V. Hernandez and J. T. Lopez Navarrete

      Version of Record online: 28 APR 2005 | DOI: 10.1002/qua.20521

    3. Understanding complex surface-enhanced Raman scattering, using quantum chemical calculations (pages 681–694)

      Juan F. Arenas, Juan Soto, Daniel Pelaez, David J. Fernandez and Juan C. Otero

      Version of Record online: 7 MAR 2005 | DOI: 10.1002/qua.20522

    4. Infrared linear dichroism in stretched films: Quantum mechanical approach within the polarizable continuum model (pages 716–726)

      Chiara Cappelli, Stefano Corni, Benedetta Mennucci, Jacopo Tomasi and Roberto Cammi

      Version of Record online: 22 FEB 2005 | DOI: 10.1002/qua.20523

    5. Ab initio calculation of vibrational Raman optical activity (pages 816–829)

      Magdalena Pecul and Kenneth Ruud

      Version of Record online: 15 APR 2005 | DOI: 10.1002/qua.20601