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Structure and dynamics of short chain molecules in disordered porous materials: A molecular dynamics simulation study

✍ Scribed by Chang, Rakwoo; Yethiraj, Arun

Book ID
111874846
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
476 KB
Volume
126
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

Molecular dynamics simulation of a polym
Molecular dynamics simulation of a polymer chain in solution by collisional dynamics method
✍ 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