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Self-Assembly of Diamondoid Molecules and Derivatives (MD Simulations and DFT Calculations)
We report self-assembly and phase transition behavior of lower diamondoid molecules and their primary derivatives using molecular dynamics (MD) simulation and density functional theory (DFT) calculations. Two lower diamondoids (adamantane and diamantane), three adamantane derivatives (amantadine, me...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International (MDPI)
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2821004/ https://www.ncbi.nlm.nih.gov/pubmed/20162016 http://dx.doi.org/10.3390/ijms11010288 |