From C2 Molecules to Self-Assembled Fullerenes in Quantum Chemical Molecular Dynamics

作者: Stephan Irle , Guishan Zheng , Marcus Elstner , Keiji Morokuma

DOI: 10.1021/NL034739T

关键词: NucleationFullereneSelf-assemblyRing (chemistry)CondensationSelf assembledMoleculeChemical physicsChemistryPhysical chemistryMolecular dynamics

摘要: … studied open-ended carbon nanotubes. In making use of our previous experience that open-… that led to C 184 and C 146 giant fullerenes, and a summary will be given on key elements …

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