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Re-Engineering Organocatalysts for Asymmetric Friedel-Crafts Alkylation of Indoles through Computational Studies.
J Org Chem. 2020 Aug 7;85(15):9969-9978. doi: 10.1021/acs.joc.0c01256. Epub 2020 Jul 23.
J Org Chem. 2020.
PMID: 32644813
Redefining the Impact of Boltzmann Analysis in the Stereochemical Assignment of Polar and Flexible Molecules by NMR Calculations.
Zanardi MM, Marcarino MO, Sarotti AM.
Zanardi MM, et al. Among authors: marcarino mo.
Org Lett. 2020 Jan 3;22(1):52-56. doi: 10.1021/acs.orglett.9b03866. Epub 2019 Dec 13.
Org Lett. 2020.
PMID: 31833778
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The Risks of Automation: A Study on DFT Energy Miscalculations and Its Consequences in NMR-based Structural Elucidation.
Marcarino MO, Zanardi MM, Sarotti AM.
Marcarino MO, et al.
Org Lett. 2020 May 1;22(9):3561-3565. doi: 10.1021/acs.orglett.0c01001. Epub 2020 Apr 14.
Org Lett. 2020.
PMID: 32286840
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NMR Calculations with Quantum Methods: Development of New Tools for Structural Elucidation and Beyond.
Marcarino MO, Zanardi MAM, Cicetti S, Sarotti AM.
Marcarino MO, et al.
Acc Chem Res. 2020 Sep 15;53(9):1922-1932. doi: 10.1021/acs.accounts.0c00365. Epub 2020 Aug 14.
Acc Chem Res. 2020.
PMID: 32794691
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A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide.
Marcarino MO, Cicetti S, Zanardi MM, Sarotti AM.
Marcarino MO, et al.
Nat Prod Rep. 2022 Jan 26;39(1):58-76. doi: 10.1039/d1np00030f.
Nat Prod Rep. 2022.
PMID: 34212963
Review.
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Multicomponent Domino Synthesis of Cyclopenta[ b]furan-2-ones.
Riveira MJ, Marcarino MO, La-Venia A.
Riveira MJ, et al. Among authors: marcarino mo.
Org Lett. 2018 Jul 6;20(13):4000-4004. doi: 10.1021/acs.orglett.8b01567. Epub 2018 Jun 6.
Org Lett. 2018.
PMID: 29874085
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Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen-Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory.
Marcarino MO, Passaglia L, Zanardi MM, Sarotti AM.
Marcarino MO, et al.
Chemistry. 2023 Jun 22;29(35):e202300420. doi: 10.1002/chem.202300420. Epub 2023 May 3.
Chemistry. 2023.
PMID: 36973182
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