C-H functionalisation through carbene and fluorocarbene insertion - Ab initio and DFT investigations

Journal of Molecular Structure: THEOCHEM

Volumn 755, Issue 1-3, 2005, Pages 169-178

  Ramalingam, M ^a   Ramasami, K ^b   Venuvanalingam, P ^c   Sethuraman, V ^a  

^a RAJAH SERFOJI GOVERNMENT COLLEGE AUTONOMOUS   (India)

^b NEHRU MEMORIAL COLLEGE   (India)

^c BHARATHIDASAN UNIVERSITY   (India)

Author keywords

Ab initio MP2; Activation barriers; Carbene insertion; DFT; Fluorocarbene; Methylene; Transition state

Indexed keywords

EID: 28944440682     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.018     Document Type: Article

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