Cover Image, Volume 35, Issue 9
Article first published online: 25 FEB 2014
Copyright © 2014 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 35, Issue 9, pages i–ii, 5 April 2014
How to Cite
(2014), Cover Image, Volume 35, Issue 9. J. Comput. Chem., 35: i–ii. doi: 10.1002/jcc.23571
- Issue published online: 25 FEB 2014
- Article first published online: 25 FEB 2014
- Cited By
Classical and ab initio molecular dynamics in the presence and absence of the explicit tetrahydrofuran (THF) solvent, and associated continuum methods, have shown the importance of explicit solvation in accurately modeling the structural, energetic, and dynamical properties of a chemical-hydrogen storage catalyst. The cover shows the bi-functional Ru catalyst surrounded by THF molecules from classical MD, as presented by Sateesh Bandaru, Niall J. English, and J. M. D. MacElroy on page 683.