1. Analysis of the interaction energy in the Cu⁺-H₂O and Cl⁻-H₂O systems, with CP corrections to the BSSE of the separate terms, and MC simulations of the aqueous systems with and without CP corrections

   • M. Natália
   • D. S. Cordeiro
   • Jacopo Tomasi

   OriginalPaper Pages: 165 - 187

2. A quasi-Newton algorithm for first-order saddle-point location

   • P. Culot
   • G. Dive
   • J. M. Ghuysen

   OriginalPaper Pages: 189 - 205

3. High-quality Gaussian basis sets for fourth-row atoms

   • Harry Partridge
   • Knut Faegri Jr.

   OriginalPaper Pages: 207 - 212

4. Theoretical calculations of⁹⁵Mo-NMR chemical shifts for compounds [MoO_4−n S _n ]²⁻

   • Sun Yue-ming
   • Zhu Long-geng
   • Jiang Yuang-sheng

   OriginalPaper Pages: 213 - 222

5. Static dipole polarizabilities of open-shell negative ions

   • A. K. Das
   • D. Ray
   • P. K. Mukherjee

   OriginalPaper Pages: 223 - 227

6. Treating large intermediate spaces in the CIPSI method through a direct selected CI algorithm

   • A. Povill
   • J. Rubio
   • F. Illas

   OriginalPaper Pages: 229 - 238

7. Some results for symmetric-group-adapted reduced density operators

   • Josep Planelles
   • Jacek Karwowski

   OriginalPaper Pages: 239 - 248

8. Molecular photodissociation dynamics: The time-dependent formulation

   • Niels Engholm Henriksen

   OriginalPaper Pages: 249 - 269

9. Anab initio investigation of structure and inversion barrier of triisopropylamine and related amines and phosphines

   • Christoph Kölmel
   • Christian Ochsenfeld
   • Reinhart Ahlrichs

   OriginalPaper Pages: 271 - 284

10. Investigation of electron distribution and hyperfine properties of hemin by first-principles Hartree-Fock self-consistent field procedure

    • N. Sahoo
    • K. Ramani Lata
    • T. P. Das

    OriginalPaper Pages: 285 - 298

11. Electronic structure and the unimolecular reactions of imine peroixde HNOO

    • Takayuki Fueno
    • Keiichi Yokoyama
    • Shin-ya Takane

    OriginalPaper Pages: 299 - 308

12. Second-order Green's function calculations of the ionization potential of a (H₂)₇ chain embedded in a homogeneous electric field

    • Michaël Deleuze
    • Joseph Delhalle
    • Barry T. Pickup

    OriginalPaper Pages: 309 - 319

13. Analysis of the transition from normal modes to local modes in a system of two harmonically coupled Morse oscillators

    • Giovanna Longhi
    • Sergio Abbate
    • Laure Ricard-Lespade

    OriginalPaper Pages: 321 - 337

14. Book reviews

    • C. A. Mead
    • Douglas J. Klein

    BookReview Pages: 339 - 340

15. Announcement

    Announcement Pages: I - I