Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5349742 | Applied Surface Science | 2014 | 5 Pages |
Abstract
- Critical packing parameter (p) is an important property for self-assembled aggregate.
- Up to date, the estimation of p is regarded as hypothetical rather than empirical.
- The results announce the possibility of predicting p theoretically using DFT method.
- Possibility of employing the evaluation of p through computational chemistry software.
- Valuable thermodynamic information about the self-assembly may be obtained from determined p.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Rabah A. Khalil, Al-hakam A. Zarari,