The structural stability of polyhydroxylated C60(OH)24: Density functional theory characterizations

Computational and Theoretical Chemistry

Volumn 974, Issue 1-3, 2011, Pages 16-20

  He, Hongqing ^a   Zheng, Limin ^a   Jin, Peng ^a   Yang, Minghui ^a  

^a Wuhan National Laboratory for Optoelectronics   (China)

Author keywords

DFT; Fullerenol; Intramolecular hydrogen bond; IR; NICS; NMR

Indexed keywords

EID: 84555202678     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.07.005     Document Type: Article

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