Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution : ability of the solvent molecules to fill the cavity of the macrocycle
The structure and dynamics of the dichloromethane solvent around the calix[4]arene units contained in the molecular actuator poly(calix[4]arene bis-bithiophene) have been examined using a 1-micros molecular dynamics simulation. Results indicate that a solvent molecule fills the cavity associated to...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 29(2008), 8 vom: 15. Juni, Seite 1233-41 |
|---|---|
| 1. Verfasser: | |
| Weitere Verfasser: | , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2008
|
| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |