1. Foreword

   • Jerzy Leszczyński

   EditorialNotes Pages: 215 - 215

2. Calculated structures and heats of formation of some predicted C, N, O, F molecules

   • Peter Politzer
   • Pat Lane
   • Harold Shechter

   OriginalPaper Pages: 217 - 223

3. The aromatic diboracyclopropenyl (diboriranyl) anion; CB₂H₃ ⁻: An ab initio study

   • A. A. Korkin
   • P. v. R. Schleyer
   • R. Keese

   OriginalPaper Pages: 225 - 228

4. Some recent applications of ab initio electronic structure methods to metal, semimetal, and molecular clusters

   • R. C. Binning Jr.
   • Yasuyuki Ishikawa

   OriginalPaper Pages: 229 - 241

5. Theoretical investigation of isotopic scrambling mechanisms in 2-chloroethyl methyl sulfide

   • William H. Donovan

   OriginalPaper Pages: 243 - 254

6. Ab initio investigation on stability and properties of XYCO... HZ complexes. II: Post hartree-fock studies on H₂CO... HF

   • Andrzej Nowek
   • Jerzy Leszczyński

   OriginalPaper Pages: 255 - 259

7. Shape analysis of macromolecular electron densities

   • Paul G. Mezey

   OriginalPaper Pages: 261 - 270

8. A theoretical study of some steps in the Wacker process

   • Per E. M. Siegbahn

   OriginalPaper Pages: 271 - 279

9. Tautomerism of xanthine: The second-order MØller-Plesset study

   • Jiři šponer
   • Jerzy Leszczyński

   OriginalPaper Pages: 281 - 286

10. Intermolecular interaction energy of CH₄ trimer by symmetry-adapted perturbation theory

    • Masanori Tachikawa
    • Kazunari Suzuki
    • Kaoru Iguchi

    OriginalPaper Pages: 287 - 292

11. Ab initio studies of methylenecarbene and isoelectronic species

    • Hallie K. Brody
    • David H. Magers
    • Jerzy Leszczyński

    OriginalPaper Pages: 293 - 300

12. The statistical generation of SCS values and interaction factors for the¹³C NMR spectra of arenes

    • R. E. Jetton
    • J. R. Nanney
    • C. C. Price

    OriginalPaper Pages: 301 - 315

13. Self-consistent relativistic effective core potentials for transition metal atoms: Cu, Ag, and Au

    • A. V. Titov
    • N. S. Mosyagin

    OriginalPaper Pages: 317 - 321

14. Ab initio studies of peroxynitrite anion-water complexes

    • Hui-Hsu Tsai
    • Tracy P. Hamilton
    • Joseph S. Beckman

    OriginalPaper Pages: 323 - 332

15. Bond functions and the topological properties of the bonds

    • Anibal Sierraalta
    • Mirixa Boves

    OriginalPaper Pages: 333 - 337

16. Ab initio predictions of the molecular structures and harmonic vibrational frequencies of Ga₂O₂ isomers

    • Edet F. Archibong
    • Richard Sullivan
    • Jerzy Leszczyński

    OriginalPaper Pages: 339 - 342

17. Interaction of divalent metal cations and nucleotides: A computational study

    • T. Varnali
    • D. Tözüm-çalgan

    OriginalPaper Pages: 343 - 348

18. A theoretical study for the structure of propranolol and some fluorinated derivatives

    • Zarreen H. Farooqi
    • Hassan Y. Aboul-Enein

    OriginalPaper Pages: 349 - 355

19. Using theoretical descriptors in quantitative structure-activity relationships: HPLC capacity factors for energetic materials

    • Alfred H. Lowrey
    • George R. Famini

    OriginalPaper Pages: 357 - 365

20. Book reviews

    • Colin J. Marsden
    • Arthur Greenberg
    • Magdolna Hargittai

    BookReview Pages: 367 - 370