1. Symmetry-adapted integrals over many-electron basis functions and operators

   • P. Dahle
   • P. R. Taylor

   Regular article Pages: 401 - 407

2. Near-degeneracy corrections for second-order perturbation theory: comparison of two approaches

   • Ágnes Szabados
   • Xavier Assfeld
   • Péter R. Surján

   Regular article Pages: 408 - 412

3. Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set

   • Mathew D. Halls
   • Julia Velkovski
   • H. Bernhard Schlegel

   Regular article Pages: 413 - 421

4. Theoretical analysis of some substituted imine–enamine tautomerism

   • Patricia Pérez
   • Alejandro Toro-Labbé

   Regular article Pages: 422 - 430

5. Möbius strip versus linear and cyclic polyacenes: a Hückel and semiempirical investigation

   • Maxime Guillaume
   • Benoît Champagne
   • Jean-Marie André

   Regular article Pages: 431 - 436

6. Excitation energies, electron affinities and ionization potentials of the transition metals V, Cr and Mn

   • You Osanai
   • Hirotake Ishikawa
   • Takeshi Noro

   Regular article Pages: 437 - 445

7. An improved iterative solution to solve the electrostatic problem in the polarizable continuum model

   • Christian Silvio Pomelli
   • Jacopo Tomasi
   • Vincenzo Barone

   Regular article Pages: 446 - 451

8. A theoretical study of the copper–cysteine bond in blue copper proteins

   • Ulf Ryde
   • Mats H. M. Olsson
   • Antonio Carlos Borin

   Regular article Pages: 452 - 462

9. Finding transition states using reduced potential-energy surfaces

   • Josep Maria Bofill
   • Josep Maria Anglada

   Regular article Pages: 463 - 472

10. Relativistic virial theorem for atoms

    • Osamu Matsuoka
    • Toshikatsu Koga

    Regular article Pages: 473 - 476

11. Transition state for intramolecular C–H bond cleavage in [(LCu)2(μ-O)2]2+ (L = 1,4,7-tribenzyl-1,4,7-triazacyclononane)

    • Christopher J. Cramer
    • Youngshang Pak

    Letter Pages: 477 - 480