A loose-coupling, constant-pressure, molecular dynamics algorithm for use in the modelling of polymer materials
✍ Scribed by D. Brown; J.H.R. Clarke
- Book ID
- 107745454
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 911 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The deuterium quadrupole coupling constant and asymmetry parameter in heavy water were determined using ab initio SCF calculations. Snapshots from a molecular dynamics simulation were used to give liquid water cluster configurations and the influence of simulation parameters on the quadrupole coupli
## Abstract In the present study a dynamic grid adaptation (DGA) algorithm is utilized for predicting flow around a circular cylinder in sub‐critical flow regime at a Reynolds number of 1.4×10^5^. The reason for adopting a DGA algorithm is the unsteadiness of the flow field which makes a convention
## Abstract It is demonstrated that in a case where neither the proton nor the natural‐abundance ^13^C‐satellite spectra of a partially oriented molecule carry enough structural information, one can determine the entire molecular geometry by the combined use of several liquid crystals as solvents.