Molecular Simulation

Application of Gibbs Ensemble and NPT Monte Carlo Simulation to the Development of Improved Processes for H 2 S-rich Gases
pp. 631-648(18)
Authors: Philippe Ungerer; Aurélie Wender; Grégoire Demoulin; Émeric Bourasseau; Pascal Mougin

The Transport of an Ion through a Channel Formed by a Helical Electroactive Polymer
pp. 649-659(11)
Authors: Robert O'Farrell; Sadhbh O'dwyer; D.A. Morton-Blake

Atomistic Simulations of Rare Gas Transport through Breathable Single-wall Nanotubes with Constrictions and Knees
pp. 661-667(7)
Authors: M.W. Roth; J. Mesentseva

Molecular Dynamics Simulation Studies of the Limiting Conductances of CaCl 2 using Extended Simple Point Charge and Revised Polarizable Models
pp. 669-678(10)
Author: Song Hi Lee

Structures and Energetics of Platinum-Cobalt Bimetallic Clusters
pp. 679-690(12)
Authors: Yu Hang Chui; Kwong-Yu Chan

QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants
pp. 691-696(6)
Authors: E.A. Castro; F. Torrens; A.A. Toropov; I.V. Nesterov; O.M. Nabiev