Self-Assembly of Diamondoid Molecules and Derivatives (MD Simulations and DFT Calculations)
نویسندگان
چکیده
منابع مشابه
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, memantine and rimantadine) and two artificial molecules (ADM·Na and DIM·Na) are studied separately ...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2010
ISSN: 1422-0067
DOI: 10.3390/ijms11010288