Theoretical chemistry of metal and single ions in solutions Enrique Sánchez Marcos Editorial 02 February 2006 Pages: 75 - 76
Ab initio quantum mechanical charge field (QMCF) molecular dynamics: a QM/MM – MD procedure for accurate simulations of ions and complexes Bernd M. RodeThomas S. HoferViwat Vchirawongkwin Regular Article 14 December 2005 Pages: 77 - 85
Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium Vassiliki-Alexandra GlezakouYongsheng ChenLiem X. Dang Regular Article 23 December 2005 Pages: 86 - 99
The Arrangement of First- and Second-shell Water Molecules Around Metal Ions: Effects of Charge and Size Charles W. BockGeorge D. MarkhamJenny P. Glusker Regular Article 11 February 2006 Pages: 100 - 112
Quantum versus classical electron transfer energy as reaction coordinate for the aqueous Ru2+/Ru3+ redox reaction J. BlumbergerM. Sprik Regular Article 10 December 2005 Pages: 113 - 126
Study of interactions of various ionic species with solvents toward the design of receptors N. Jiten SinghAdriana C. OlletaKwang S. Kim Regular Article 14 December 2005 Pages: 127 - 135
A molecular dynamics investigation of the titration of a trivalent aqueous ion James R. RustadWilliam H. Casey Regular Article 08 December 2005 Pages: 136 - 144
Actinide Chemistry in Solution, Quantum Chemical Methods and Models Valerie ValletPeter MacakIngmar Grenthe Regular Article 13 January 2006 Pages: 145 - 160
Ion solvation in aqueous supercritical electrolyte solutions at finite concentrations: a computer simulation study E. GuàrdiaJ. MartíJ. A. Padró Regular Article 16 December 2005 Pages: 161 - 169
First and Second Hydration Shell of Ni2+ Studied by Molecular Dynamics Simulations Andrei V. EgorovAndrei V. KomolkinAatto Laaksonen Regular Article 06 January 2006 Pages: 170 - 176
A Theoretical Study of the Hydration of Li+ by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials María Luisa San-RománMauricio Carrillo-TrippIván Ortega-Blake Regular Article 19 January 2006 Pages: 177 - 189
Hyperfine interactions in aqueous solution of Cr3+: an ab initio molecular dynamics study Oleg V. YazyevLothar Helm Regular Article 10 December 2005 Pages: 190 - 195
Hydration Structure and Dynamic Properties of the Square Planar Pt(II) Aquaion Compared to the Pd(II) Case Francisco TorricoRafael R. PappalardoJosé M. Martínez Regular Article 17 December 2005 Pages: 196 - 203
