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Density function theory has been used to study Cr(CO) 3 -catalyzed 1,3-dipolar cycloaddition of nitrone and alkene. All the intermediates and the transition states were optimized completely at the B3LYP/6-31G(d,p) level. To obtain more exact energies, single-point energy calculations at B3LYP/6-311+G(d,p) level were carried out on the B3LYP/6-31G(d,p) geometries. Calculation results confirm...
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