The conformational behavior of cellobiose was studied by molecular dynamics simulation in a periodic box of waters. Several different initial conformations were used and the results compared with equivalent vacuum simulations. The average positions and rms fluctuations within single torsional confor
✦ LIBER ✦
Molecular dynamics simulation of ferrous and ferric ions in water
✍ Scribed by E. Guàrdia; J.A. Padró
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 805 KB
- Volume
- 144
- Category
- Article
- ISSN
- 0301-0104
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## Abstract Mixtures of Trifluoroethanol (TFE) and water with different proportions are studied using molecular dynamics simulations. The radial and spatial distribution functions, as well as the size distribution of TFE clusters are obtained from the trajectories. The variation of radial and spati