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Autor:
John M. Roscoe, Mariusz Klobukowski, Binod R. GiriB.R. Giri, Robert A. Marriott, John M. H. Lo
Publikováno v:
Canadian Journal of Chemistry. 88:1136-1145
The kinetic behaviour for the reaction of atomic bromine with tetrahydrofuran has been analysed using the information from quantum chemical calculations. Structures and energy profiles were first obtained using density functional theory (DFT) employi