1. Theoretical chemistry of metal and single ions in solutions

   • Enrique Sánchez Marcos

   Editorial 02 February 2006 Pages: 75 - 76

2. Ab initio quantum mechanical charge field (QMCF) molecular dynamics: a QM/MM – MD procedure for accurate simulations of ions and complexes

   • Bernd M. Rode
   • Thomas S. Hofer
   • Viwat Vchirawongkwin

   Regular Article 14 December 2005 Pages: 77 - 85

3. Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium

   • Vassiliki-Alexandra Glezakou
   • Yongsheng Chen
   • Liem X. Dang

   Regular Article 23 December 2005 Pages: 86 - 99

4. The Arrangement of First- and Second-shell Water Molecules Around Metal Ions: Effects of Charge and Size

   • Charles W. Bock
   • George D. Markham
   • Jenny P. Glusker

   Regular Article 11 February 2006 Pages: 100 - 112

5. Quantum versus classical electron transfer energy as reaction coordinate for the aqueous Ru²⁺/Ru³⁺ redox reaction

   • J. Blumberger
   • M. Sprik

   Regular Article 10 December 2005 Pages: 113 - 126

6. Study of interactions of various ionic species with solvents toward the design of receptors

   • N. Jiten Singh
   • Adriana C. Olleta
   • Kwang S. Kim

   Regular Article 14 December 2005 Pages: 127 - 135

7. A molecular dynamics investigation of the titration of a trivalent aqueous ion

   • James R. Rustad
   • William H. Casey

   Regular Article 08 December 2005 Pages: 136 - 144

8. Actinide Chemistry in Solution, Quantum Chemical Methods and Models

   • Valerie Vallet
   • Peter Macak
   • Ingmar Grenthe

   Regular Article 13 January 2006 Pages: 145 - 160

9. Ion solvation in aqueous supercritical electrolyte solutions at finite concentrations: a computer simulation study

   • E. Guàrdia
   • J. Martí
   • J. A. Padró

   Regular Article 16 December 2005 Pages: 161 - 169

10. First and Second Hydration Shell of Ni²⁺ Studied by Molecular Dynamics Simulations

    • Andrei V. Egorov
    • Andrei V. Komolkin
    • Aatto Laaksonen

    Regular Article 06 January 2006 Pages: 170 - 176

11. A Theoretical Study of the Hydration of Li⁺ by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials

    • María Luisa San-Román
    • Mauricio Carrillo-Tripp
    • Iván Ortega-Blake

    Regular Article 19 January 2006 Pages: 177 - 189

12. Hyperfine interactions in aqueous solution of Cr³⁺: an ab initio molecular dynamics study

    • Oleg V. Yazyev
    • Lothar Helm

    Regular Article 10 December 2005 Pages: 190 - 195

13. Hydration Structure and Dynamic Properties of the Square Planar Pt(II) Aquaion Compared to the Pd(II) Case

    • Francisco Torrico
    • Rafael R. Pappalardo
    • José M. Martínez

    Regular Article 17 December 2005 Pages: 196 - 203