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Computing relative stabilities of metallofullerenes by Gibbs energy treatments
Authors:Zdeněk Slanina  Shyi-Long Lee  Filip Uhlík  Ludwik Adamowicz  Shigeru Nagase
Affiliation:(1) Department of Theoretical Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan;(2) Department of Chemistry and Biochemistry, National Chung-Cheng University, Chia-Yi, 62117, Taiwan;(3) School of Science, Charles University, 128 43 Prague 2, Czech Republic;(4) Department of Chemistry, University of Arizona, Tucson, AZ, 85721-0041, USA
Abstract:
Keywords:Metallofullerenes  Gibbs-energy evaluations  Cluster relative stabilities  Optimized syntheses  Fullerene-based nanoscience
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