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...

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Detalles Bibliográficos
Autores principales: Xue, Yong, Mansoori, G. Ali
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2010
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2821004/
https://www.ncbi.nlm.nih.gov/pubmed/20162016
http://dx.doi.org/10.3390/ijms11010288

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