Selectivity study from the density functional local reactivity indices

Journal of Molecular Structure: THEOCHEM

Volumn 762, Issue 1-3, 2006, Pages 79-86

  Mineva, T ^a  

^a INSTITUTE OF CATALYSIS   (Bulgaria)

Author keywords

(regio)selectivity; DFT; Orbital and atomic fukui indices; Orbital hardness; Reactivity

Indexed keywords

EID: 33646768128     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.044     Document Type: Article

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