Molecular Dynamics Studies of Vacancy Migration in BaFCl
β Scribed by T. Kurobori; M. Yoshiura; Y. Hirose; M. Takeuchi
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 109 KB
- Volume
- 212
- Category
- Article
- ISSN
- 0370-1972
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
This article considers the treatment of long-range interactions in molecular dynamics simulations. We investigate the effects of using different cutoff distances, constant versus distancedependent dielectric, and different smoothing methods. In contrast to findings of earlier studies, we find that i
Molecular dynamics simulations have been carried out for 1 ns on human and bovine angiogenin systems in an effort to compare and contrast their dynamics. An analysis of their dynamics is done by examining the rms deviations, following hydrogen-bonding interactions and looking at the role of water in