Cover Image, Volume 113, Issue 4
Article first published online: 22 JAN 2013
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Seventh Congress of the International Society for Theoretical Chemical Physics
Volume 113, Issue 4, pages i–ii, 15 February 2013
How to Cite
(2013), Cover Image, Volume 113, Issue 4. Int. J. Quantum Chem., 113: i–ii. doi: 10.1002/qua.24384
- Issue published online: 22 JAN 2013
- Article first published online: 22 JAN 2013
- Cited By
Quartz is ubiquitous in the Earth's crust and its interaction with water is a crucial part in many environmental and geochemical processes. First principle molecular dynamics simulations are used by Mia Ledyastuti, Yunfeng Liang, and Toshifumi Matsuoka on page 401 to understand the formation mechanism and structure of defects in crystalline and amorphous silica. When interacting with water, germinal silanol species dominate the silica surface. The hydroxylation mechanism, the formation of the siloxane bridge SiOSi, and the peroxy SiOOSi and SiOOH defects of quartz in an aqueous environment are also revealed in detail in this work.