1. Introduction

   • Jerzy Leszczynski

   Introduction Pages: 103 - 103

2. Molecular Dynamics Simulations of Energetic Solids

   • Peter Politzer
   • Sylke Boyd

   OriginalPaper Pages: 105 - 113

3. An Ab Initio Molecular Orbital Theory and Density Functional Theory (DFT) Study of Conformers and Rotamers of 4-Substituted (Methyl, Hydroxymethyl, Methanoyl, Ethanoyl, Cyano, Fluoro, Chloro, Bromo, Acetoxy) Tetrahydro-2H-thiopyran-1,1-dioxides

   • Fillmore Freeman
   • Faranak Gomarooni
   • Warren J. Hehre

   OriginalPaper Pages: 115 - 131

4. cis-Diamminodichloronickel and Its Interaction with Guanine and Guanine–Cytosine Base Pair

   • Kristy Cochran
   • Gareth Forde
   • Jerzy Leszczynski

   OriginalPaper Pages: 133 - 140

5. Theoretical Evidence of Aromaticity in X₃ ⁻ (X = B, Al, Ga) Species

   • Aleksey E. Kuznetsov
   • Alexander I. Boldyrev

   OriginalPaper Pages: 141 - 148

6. A Computational Study of Conformers of 2-Thiaoxacyclohexane (1,2-Oxathiane)

   • Fillmore Freeman
   • Kaman Lee
   • Warren J. Hehre

   OriginalPaper Pages: 149 - 160

7. Electrophoretic Deposition of Chain Macromolecules: Conformation and Density Profiles, Roughening, and Deroughening

   • R. B. Pandey

   OriginalPaper Pages: 161 - 163

8. Singlet Nitric Oxide Dimer Revisited: An Unexpected High Stability Isomer

   • David H. Magers
   • Huang Qiong
   • Jerzy Leszczyński

   OriginalPaper Pages: 165 - 172

9. Geometric and Electronic Structure of WSi_N(N = 1–6, 12) Clusters

   • Ju-Guang Han
   • Chuanyun Xiao
   • Frank Hagelberg

   OriginalPaper Pages: 173 - 191

10. Exhaustive Enumeration of the Effects of Point Charge Mutations on the Electrostatically Driven Association of Hemoglobin Subunits, Using Weighted-Ensemble Brownian Dynamics Simulations

    • Eric W. Fisher
    • Atipat Rojnuckarin
    • Sangtae Kim

    OriginalPaper Pages: 193 - 202

11. Model Calculations of Radiation-Induced Damage in 1-Methyluracil:9-Ethyladenine

    • Yuhua Chen
    • David Close

    OriginalPaper Pages: 203 - 209

12. Book Reviews

    • Alan L. Mackay
    • Magdolna Hargittai

    BookReview Pages: 211 - 212