Relative motions in atomic fluids: A molecular dynamics investigation
β Scribed by U. Balucani; R. Vallauri
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 960 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0378-4371
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β¦ Synopsis
The generalized time-dependent pair distribution function Gz(R, R'; t) is examined for the first time by two molecular dynamics experiments in Lennard-Jones argon at room temperature and different densities. This function gives insight into the relative motion of atoms and plays an important role in all collision-induced phenomena. The results stress the features of GZ at intermediate and long times; in the latter case they are found to be in agreement with a simple theoretical model. The behavior of some physical quantities dependent on the relative motion of atoms is also discussed.
π SIMILAR VOLUMES
The dynamical properties of piroxicam in solution were investigated on the basis of carbon spin-lattice relaxation data. In order to account for the complex molecular motion, an analysis based on Woessner's equation is proposed. Correlation times describing overall reorientation and internal motions