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Nuwe reaksies van gedeprotoneerde Fischer-tipe karbeenkomplekse
This study comprises the preparation and characterisation of completely new Fischer-type carbene complexes of chromium and tungsten by deprotonation of (CO)5M=C(NMe2)(Me), (CO)5M=C(OMe)(Me) or (CO)5M=C(NMe2)C≡CH, and ...
A DFT study of the catalytic hydrocyanation of ethylene with nickel complexes
(Stellenbosch : Stellenbosch University, 2005-12)
ENGLISH ABSTRACT: DFT calculations employing the B3LYP functional were done to investigate the mechanism for the Ni-catalyzed hydrocyanation of ethylene as proposed by Tolman. Although this reaction is an important industrial ...