| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381802 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
- We compare adsorption structure of p-CPA, p-TPA and p-NPA using DFT calculations.
- The “O-H dissociated-N dative bonded structure” is the most favorable structure.
- The differences in the geometrical configurations are observed among molecules.
- Molecules have different tilt angles due to the different size and nucleophilicity.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Heeseon Lim, Sena Yang, Myungjin Lee, Sehun Kim, Hangil Lee,