Electrostatic and van der Waals forces in fibrous filters
โ Scribed by Ken W. Sarkies; John W. Perram
- Publisher
- American Institute of Chemical Engineers
- Year
- 1972
- Tongue
- English
- Weight
- 340 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0001-1541
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Test particle calculations are employed to derive van der Waals parameters for methane. It is shown that it is possible to derive these parameters completely based on ab initio calculations. The newly derived parameters are tested in molecular dynamics calculations of liquid methane and the results
In part I of this series, the PESP parameterized electrostatic . potential method was described and applied to the calculation of electrostaticpotential-derived charges for a wide variety of organic and inorganic systems. Based on PRDDOrM wave functions and parameterized against ab initio MP2r6-31G