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Catalysis

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ab-initio calculations

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2 results in Keywords: ab-initio calculations

Origin of the different reactivity of the high-valent coinage-metal complexes [RCuIIIMe3]− and [RAgIIIMe3]− (R = allyl)

Thomas Auth, Christopher Johannes Stein, Richard A.J. O'Hair, Konrad Koszinowski

Version 1 posted 30 August 2021

216

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Theoretical and Computational Chemistry

Electronic Structure Benchmark Calculations of Inorganic and Biochemical Carboxylation Reactions

Oscar A. Douglas-Gallardo, David A. Sáez, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez

Version 2 posted 31 December 2018

906

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