𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The comparison of molecular dynamics simulations with diffraction experiments

✍ Scribed by Adrian C Wright

Book ID
115988721
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
340 KB
Volume
159
Category
Article
ISSN
0022-3093

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Dissipative Particle Dynamics Simulation
Dissipative Particle Dynamics Simulations of Polymer Brushes: Comparison with Molecular Dynamics Simulations
✍ Sandeep Pal; Christian Seidel πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 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

Structure of liquid methylene chloride:
Structure of liquid methylene chloride: Molecular dynamics simulation compared to diffraction experiments
✍ Szabolcs BΓ‘lint; Imre BakΓ³; TamΓ‘s GrΓ³sz; TΓΌnde Megyes πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 983 KB

Molecular dynamics simulation and diffraction (X-ray and neutron) studies are compared on methylene chloride with aiming at the determination of the liquid structure. Beyond that, the capabilities of the methods to describe liquid structure are discussed. For the studied liquid, the diffraction meth