NC unit trapped by fullerenes: a density functional theory study on Sc3NC@C2n (2n = 68, 78 and 80)†
Abstract
Endohedral metallofullerenes (EMFs) with a trapped
* Corresponding authors
a State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian, P. R. China
b
Department of Chemistry, Institute for Functional Materials, University of Puerto Rico, San Juan, Puerto Rico 00931
E-mail:
zhongfangchen@gmail.com
c Institute of New Energy Material Chemistry, Institute of Scientific Computing, Nankai University, Tianjin 300071, P. R. China
d
State Key Laboratory of Physical Chemistry of Solid Surface & Center for Theoretical Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China
E-mail:
xinlu@xmu.edu.cn
Endohedral metallofullerenes (EMFs) with a trapped
P. Jin, Z. Zhou, C. Hao, Z. Gao, K. Tan, X. Lu and Z. Chen, Phys. Chem. Chem. Phys., 2010, 12, 12442 DOI: 10.1039/B923106D
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