1. Forword

   • Gaston Berthier
   • Josef Michl

   EditorialNotes Pages: 1 - 2

2. A Monte Carlo simulation study of the aqueous hydration of d(CGCGCG) in Z form

   • P. S. Subramanian
   • D. L. Beveridge

   OriginalPaper Pages: 3 - 15

3. Molecular orbital studies on nucleoside antibiotics X. Conformation of nebularine and isoguanosine

   • A. Saran
   • L. N. Patnaik

   OriginalPaper Pages: 17 - 26

4. A new theoretical approach to the empirical resonance energies of the aromatic hydrocarbons

   • Takeshi Nakajima
   • Masahiro Kataoka

   OriginalPaper Pages: 27 - 31

5. Evaluation of angular integrals by harmonic projection

   • J. Avery
   • F. Antonsen

   OriginalPaper Pages: 33 - 42

6. Ab initio study of the stability of [n]paracyclophanes and their Dewar benzene-type isomers

   • Malte von Arnim
   • Sigrid D. Peyerimhoff

   OriginalPaper Pages: 43 - 59

7. Theoretical studies of peptidic structures. Environmental effects

   • Serafin Fraga
   • Stephen E. Thornton

   OriginalPaper Pages: 61 - 67

8. Theoretical studies of [n]paracyclophanes and their valence isomers

   • F. Bockisch
   • J. -C. Rayez
   • B. Duguay

   OriginalPaper Pages: 69 - 86

9. Theoretical study of the structure of the glutathione-hydrogen peroxide complex

   • J. Bergès
   • J. Caillet
   • Z. Abedinzadeh

   OriginalPaper Pages: 87 - 99

10. Auxiliary functions for Slater molecular integrals

    • J. Fernández Rico
    • R. López
    • J. I. Fernández-Alonso

    OriginalPaper Pages: 101 - 107

11. Reactivity indices: Remarks on present state and prospects

    • Giuseppe Del Re

    OriginalPaper Pages: 109 - 119

12. Association of metal cations with alkanes: Na(CH₄)⁺ versus Cu(CH₄)⁺ as molecular models

    • Lotfi Bouslama
    • Hélène Mestdagh
    • Michèle Suard

    OriginalPaper Pages: 121 - 126

13. Some applications of local density functional theory to the calculation of reaction energetics

    • Peter Politzer
    • Jorge M. Seminario
    • Jane S. Murray

    OriginalPaper Pages: 127 - 136

14. On operator inequalities as tools in quantum theory

    • Per-Olov Löwdin

    OriginalPaper Pages: 137 - 153

15. Evaluation of the bond energy terms for the various types of boron-nitrogen bonds

    • G. Leroy
    • M. Sana
    • C. Wilante

    OriginalPaper Pages: 155 - 166

16. Molecular interactions in a homogeneous electric field: the (HF)₂ complex

    • G. Alagona
    • R. Cammi
    • J. Tomasi

    OriginalPaper Pages: 167 - 187

17. Peptide models II. Intramolecular interactions and stable conformations of glycine, alanine, and valine peptide analogues

    • Wladia Viviani
    • Jean-Louis Rivail
    • Imre G. Csizmadia

    OriginalPaper Pages: 189 - 197

18. Nonrigid large van der Waals molecules

    • Joshua Jortner
    • Narda Ben-Horin
    • Daphna Scharf

    OriginalPaper Pages: 199 - 207

19. Point charge representation of multicenter multipole moments in calculation of electrostatic properties

    • W. A. Sokalski
    • M. Shibata
    • R. Rein

    OriginalPaper Pages: 209 - 216

20. Transition structures for carbon dioxide and formaldehyde hydroxylation reactions in the coordinate sphere of zinc

    • O. Tapia
    • O. Jacob
    • F. Colonna

    OriginalPaper Pages: 217 - 230

21. Determining proton positions in an enzyme-inhibitor complex is a first step for theoretical mechanistic studies of aspartic proteinases

    • Amiram Goldblum
    • Meir Glick
    • Anwar Rayan

    OriginalPaper Pages: 231 - 247