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Published in 2018 at "Russian Journal of Inorganic Chemistry"
DOI: 10.1134/s0036023618070240
Abstract: In this study, we report substituent effect on aryl group migration in (para-C6H4X)Mn(CO)5 complexes using mpw1pw91 quantum chemical calculations. These calculations reveal good linear relationships between barrier energy (ΔE), activation energy (ΔH‡), activation free energy…
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Keywords:
substituent effect;
c6h4x;
aryl group;
para c6h4x ... See more keywords