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Molecular dynamics simulation of diffusion of simple gas molecules in a short chain polymer

✍ Scribed by Takeuchi, Hisao; Okazaki, Keiji


Book ID
120481336
Publisher
American Institute of Physics
Year
1990
Tongue
English
Weight
917 KB
Volume
92
Category
Article
ISSN
0021-9606

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Molecular dynamics simulation of a polym
✍ LEMAK, A. S.; BALABAEV, N. K. πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 834 KB

This article describes the collisional dynamics (CD) method adapted for molecules with geometrical constraints within a description using Cartesian coordinates for the atoms. In the CD method, stochastic collisions with virtual particles are included in usual molecular dynamics simulations to couple