International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Current Trends in Computational Chemistry: A Selection of Papers from the 15th Annual Conference on Current Trends in Computational Chemistry


Volume 107, Issue 12

Pages 2185–2292

Issue edited by: Jerzy Leszczynski

    1. Preface (page 2185)

      Jerzy Leszczynski

      Version of Record online: 17 MAY 2007 | DOI: 10.1002/qua.21422

    2. New index functions for storing Gaunt coefficients (pages 2186–2196)

      Didier Pinchon and Philip E. Hoggan

      Version of Record online: 17 APR 2007 | DOI: 10.1002/qua.21337

    3. Periodane: A wealth of structural possibilities revealed by the Kick procedure (pages 2220–2223)

      Partha P. Bera, Paul v. R. Schleyer and Henry F. Schaefer III

      Version of Record online: 17 APR 2007 | DOI: 10.1002/qua.21322

    4. Investigation of the nanoscale self-assembly of donor-σ-acceptor molecules (pages 2233–2242)

      Bobby G. Sumpter, Vincent Meunier, Álvaro Vázquez-Mayagoitia and Ronald K. Castellano

      Version of Record online: 11 MAY 2007 | DOI: 10.1002/qua.21411

    5. Core-ionized and core-excited states of macromolecules (pages 2243–2252)

      Pierre-François Loos and Xavier Assfeld

      Version of Record online: 7 MAY 2007 | DOI: 10.1002/qua.21410

    6. Electron propagator studies of vertical electron detachment energies and isomerism in purinic deoxyribonucleotides (pages 2266–2273)

      V. V. Zakjevskii, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz

      Version of Record online: 16 MAR 2007 | DOI: 10.1002/qua.21330

    7. Quantum chemical analysis of reaction paths in chorismate mutase: Conformational effects and electrostatic stabilization (pages 2274–2285)

      Borys Szefczyk, Frederik Claeyssens, Adrian J. Mulholland and W. Andrzej Sokalski

      Version of Record online: 17 APR 2007 | DOI: 10.1002/qua.21354

    8. A predicted new type of directional noncovalent interaction (pages 2286–2292)

      Jane S. Murray, Pat Lane and Peter Politzer

      Version of Record online: 17 APR 2007 | DOI: 10.1002/qua.21352