1. Preface: Computational Chemistry

   • Jerzy Leszczynski

   Preface Pages: 429 - 429

2. Density Functional Tight-Binding Studies of Carbon Nanotube Structures

   • Zenaida Peralta-Inga
   • Sylke Boyd
   • Peter Politzer

   OriginalPaper Pages: 431 - 443

3. Driven Chain Macromolecule in a Heterogeneous Membrane-Like Medium

   • R. B. Pandey
   • Ray Seyfarth

   OriginalPaper Pages: 445 - 449

4. Model Calculations of Radiation-Induced Damage in Thymine Derivatives

   • David Close
   • Gareth Forde
   • Jerzy Leszczynski

   OriginalPaper Pages: 451 - 454

5. Slow Li + He Collisions: A Molecular State Treatment

   • Bidhan C. Saha

   OriginalPaper Pages: 455 - 465

6. Molecular Modeling of Steroid–Nucleoside Conjugates: A Preliminary Structural Study

   • Jesse Edwards
   • Genzo Tanaka
   • Zhengqing You

   OriginalPaper Pages: 467 - 478

7. Study of the Influence of the Nature and Position of the Halogen Atom in the N-Halogenophenyl-2,5-dimethylpyrrole Upon the Vibrational (Hyper)polarizability: Theoretical Study

   • Amar Saal
   • Ourida Ouamerali

   OriginalPaper Pages: 479 - 485

8. Computational Study of Endohedral IrSi₉ ⁺ Isomers

   • F. Hagelberg
   • C. Xiao

   OriginalPaper Pages: 487 - 496

9. A Computational Study of Chair–Twist Energy Differences and the Chair–Chair Conformational Interconversion in Tetrahydro-2H-thiopyran (Thiacyclohexane, Thiane)

   • Fillmore Freeman
   • Elika Derek

   OriginalPaper Pages: 497 - 510

10. A DFT and MP2 Study on the Molecular Structure and Vibrational Spectra of Halogenosubstituted Phosphoryl and Thiophosphoryl Compounds

    • Yinghong Sheng
    • Ramaiyer Venkatraman
    • Jerzy Leszczynski

    OriginalPaper Pages: 511 - 525

11. Quantum Mechanical Study of the Syn and Anti Conformations of Solvated Cyclic GMP

    • E. A. Salter
    • A. Wierzbicki
    • W. J. Thompson

    OriginalPaper Pages: 527 - 533

12. Book Reviews

    • Magdolna Hargittai

    BookReview Pages: 535 - 536