Literature DB >> 21229175

Di-lanthanide encapsulated into large fullerene C100: a DFT survey.

Tao Yang1, Xiang Zhao, Shigeru Nagase.   

Abstract

Quantum chemical calculations combined with statistical thermodynamic computations expose the electronic structure and high thermodynamic stability of Dy(2)@C(100), a D(5)-symmetric endohedral metallofullerene.

Entities:  

Year:  2011        PMID: 21229175     DOI: 10.1039/c0cp01840f

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  1 in total

1.  Ti12C68: A stable T h -symmetry hollow cage.

Authors:  Ling-Yan Ai; Hui-Yan Zhao; Hong-Man Ma; Jing Wang; Ying Liu
Journal:  Sci Rep       Date:  2018-03-08       Impact factor: 4.379

  1 in total

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