Article ID Journal Published Year Pages File Type
5349742 Applied Surface Science 2014 5 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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