Effective intramolecular potentials for molecular bromine in argon. Comparison of theory with simulation
β Scribed by Pratt, Lawrence R.; Chandler, David
- Book ID
- 115445610
- Publisher
- American Institute of Physics
- Year
- 1980
- Tongue
- English
- Weight
- 529 KB
- Volume
- 72
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.439684
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π SIMILAR VOLUMES
## Abstract Electroosmotic flow in a straight microβchannel of rectangular crossβsection is computed numerically for several situations where the wall zetaβpotential is not constant but has a specified spatial variation. The results of the computation are compared with an earlier published asymptot
In the application of long range corrections to calculation of potential energy and pressure utilizing molecular dynamics simulation, it is common to use a longer distance of cut-off to obtain more accurate results. The radial distribution function is assumed to be equal to unity in conventional ter