A density functional study of 14N NQR parameters of imidazole derivatives and extrapolation to PfHRP2-Fe3+-PPIX complex

Journal of Molecular Structure: THEOCHEM

Volumn 820, Issue 1-3, 2007, Pages 48-52

  Nasseri, Sareh M ^a   Hadipour, Nasser L ^a   Mohebbi, Ali Reza ^b  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b UNIVERSITY OF KIEL   (Germany)

Author keywords

DFT calculation; Environmental effects; Imidazole derivatives; NQR parameters; PfHRP2 Fe3+ PPIX complex

Indexed keywords

EID: 34548514178     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.06.004     Document Type: Article

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