Quantum chemical investigation on structures of pyrrolic amides functionalized (5,5) single-walled carbon nanotube and their binding with halide ions

Structural Chemistry

Volumn 23, Issue 1, 2012, Pages 7-15

  Tetasang, Siwinee ^a   Keawwangchai, Somchai ^a   Wanno, Banchob ^a   Ruangpornvisuti, Vithaya ^b  

^a MAHASARAKHAM UNIVERSITY   (Thailand)

^b CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

DFT; Fluoride recognition; Functionalized SWCNT; Halide ions; ONIOM; Pyrrolic amides

Indexed keywords

EID: 84862640214     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9839-3     Document Type: Article

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