MD simulations using a combination of AM1 and AMBER are performed to elucidate the origin of complexation between fullerenes and calix(n]arenes (n = 4,6,8). Gnly calix[Γ³]arenes and calix[8]arenes are suitable for complex formation. By introducing bcnayl substitutents on the upper rim of the calixare
β¦ LIBER β¦
Interactions Between Calix[8]arenes and Fullerenes. Molecular Dynamics and Molecular Mechanics Simulation of the 1:1 and 1:2 complexes
β Scribed by Lara-Ochoa, Francisco ;Antonio Cogordan, Juan ;Silaghi-Dumitrescu, Ioan
- Book ID
- 121011961
- Publisher
- Taylor and Francis Group
- Year
- 1996
- Tongue
- English
- Weight
- 332 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1064-122X
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