Carboxylated Capped Carbon Nanotubes Interacting with Nimesulide Molecules: Applied Electric Fields Effects
Interactions of carboxylated capped carbon nanotubes with nimesulide molecules under electric fields were investigated by ab initio simulations. Repulsive forces between the nimesulide molecules and the carboxyl group of the carbon nanotubes, except for the nimesulide radical configuration, were obs...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2015-01-01
|
| Series: | Journal of Nanomaterials |
| Online Access: | http://dx.doi.org/10.1155/2015/380348 |