J G O Ojwang
Affiliation: Carnegie Institution of Washington
- Multiscale modeling of interaction of alane clusters on Al(111) surfaces: a reactive force field and infrared absorption spectroscopy approachJ G O Ojwang
Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Rd NW, Washington, DC 20015, USA
J Chem Phys 132:084509. 2010..These results show that ReaxFF can be used, in conjunction with ab initio methods, to study complex reactions on surfaces at both ambient and elevated temperature conditions...