Benchmarking the Fluxional Processes of Organometallic Piano-Stool Complexes
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DOI: 10.3390/molecules26082310
Abstract: The correlation consistent Composite Approach for transition metals (ccCA-TM) and density functional theory (DFT) computations have been applied to investigate the fluxional mechanisms of cyclooctatetraene tricarbonyl chromium ((COT)Cr(CO)3) and 1,3,5,7-tetramethylcyclooctatetraene tricarbonyl chromium, molybdenum, and tungsten… read more here.
Keywords: shift; transition; tmcot complexes; energy ... See more keywords