Dimetallic sulfide endohedral metallofullerene Sc2S@C76: density functional theory characterization. | J Comput Chem;35(22): 1657-63, 2014 Aug 15. | MEDLINE

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Dimetallic sulfide endohedral metallofullerene Sc2S@C76: density functional theory characterization.

Zhao, Pei; Yang, Tao; Guo, Yi-Jun; Dang, Jing-Shuang; Zhao, Xiang; Nagase, Shigeru.

Affiliation

Zhao P; Institute for Chemical Physics & Department of Chemistry, State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an 710049, China.

J Comput Chem ; 35(22): 1657-63, 2014 Aug 15.

Article in En | MEDLINE | ID: mdl-24962983

Key words

13C NMR spectra; density functional theory; electron transfer; endohedral fullerenes; thermodynamic stability

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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2014 Document type: Article Affiliation country: China

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2014 Document type: Article Affiliation country: China