On accuracy of the 13C NMR chemical shift GIAO calculations of fullerene C60 derivatives at PBE/3ζ approach

Computational and Theoretical Chemistry

Volumn 976, Issue 1-3, 2011, Pages 12-18

  Tulyabaev, Arthur R ^a   Khalilov, Leonard M ^a  

^a INSTITUTE OF PETROCHEMISTRY AND CATALYSIS   (Russian Federation)

Author keywords

2D INADEQUATE NMR; 13C; C60; Fullerene derivatives; GIAO PBE 3 ; NMR spectroscopy

Indexed keywords

EID: 84555190880     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.07.031     Document Type: Article

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