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Molecular Dynamics Simulations of Perylene and Tetracene Librations: Comparison With Femtosecond Upconversion Data

โœ Scribed by Rosales, Tilman; Xu, Jianhua; Wu, Xiongwu; Hodoscek, Milan; Callis, Patrik; Brooks, Bernard R.; Knutson, Jay R.

Book ID
118065991
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
171 KB
Volume
112
Category
Article
ISSN
1089-5639

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Dissipative Particle Dynamics Simulation
Dissipative Particle Dynamics Simulations of Polymer Brushes: Comparison with Molecular Dynamics Simulations
โœ Sandeep Pal; Christian Seidel ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 150 KB

## Abstract **Summary:** The structure of polymer brushes is investigated by dissipative particle dynamics (DPD) simulations that include explicit solvent particles. With an appropriate choice of the DPD interaction parameters $a\_{ij}$, we obtain good agreement with previous molecular dynamics (MD