Cover Image, Volume 112, Issue 23
Article first published online: 19 OCT 2012
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Volume 112, Issue 23, pages i–ii, 5 December 2012
How to Cite
(2012), Cover Image, Volume 112, Issue 23. Int. J. Quantum Chem., 112: i–ii. doi: 10.1002/qua.24348
- Issue published online: 19 OCT 2012
- Article first published online: 19 OCT 2012
- Cited By
The figure shows the frontier molecular orbital interaction for transition states TS2 and TS3, where the orbital interaction of the metal atom Ta and non-metallic atoms (C, N, and H) can be seen. The work by Yongcheng Wang and colleagues on page 3685 involves multi-spin state potential surface non-adiabatic reaction kinetics theoretical calculations, where the transition metal catalyzed spin-forbidden reaction that occurs among the small molecules is selected as the research system. The results of the calculation can serve as a reliable, practical calculating model and analysis method for catalyst selection and design and catalytic reaction dynamics research.