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Chiral-at-Metal Racemization Unraveled for MX2 (a-chel)2 by means of a Computational Analysis of MoO2 (acnac)2.
Chemistry. 2023 Nov 24;29(66):e202302516. doi: 10.1002/chem.202302516. Epub 2023 Oct 30.
Chemistry. 2023.
PMID: 37730887
Racemization Pathway for MoO2(acac)2 Favored over Ray-Dutt, Bailar, and Conte-Hippler Twists.
Dhimba G, Muller A, Lammertsma K.
Dhimba G, et al.
Inorg Chem. 2022 Sep 26;61(38):14918-14923. doi: 10.1021/acs.inorgchem.2c00824. Epub 2022 Aug 18.
Inorg Chem. 2022.
PMID: 35980189
Free PMC article.
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Chiral-at-Metal Racemization Unraveled for MX2 (a-chel)2 by Means of a Computational Analysis of MoO2 (acnac)2.
Dhimba G, Muller A, Lammertsma K.
Dhimba G, et al.
Chemistry. 2023 Nov 24;29(66):e202303605. doi: 10.1002/chem.202303605. Epub 2023 Nov 7.
Chemistry. 2023.
PMID: 37933718
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A Molecular-Wide and Electron Density-Based Approach in Exploring Chemical Reactivity and Explicit Dimethyl Sulfoxide (DMSO) Solvent Molecule Effects in the Proline Catalyzed Aldol Reaction.
Cukrowski I, Dhimba G, Riley DL.
Cukrowski I, et al. Among authors: dhimba g.
Molecules. 2022 Jan 31;27(3):962. doi: 10.3390/molecules27030962.
Molecules. 2022.
PMID: 35164227
Free PMC article.
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A reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms: a case study of the proline-catalysed aldol reaction.
Cukrowski I, Dhimba G, Riley DL.
Cukrowski I, et al. Among authors: dhimba g.
Phys Chem Chem Phys. 2019 Aug 14;21(30):16694-16705. doi: 10.1039/c9cp03046h. Epub 2019 Jul 19.
Phys Chem Chem Phys. 2019.
PMID: 31321390
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