Beyond DP4: An improved probability for the stereochemical assignment of isomeric compounds using quantum chemical calculations of NMR shifts N Grimblat, MM Zanardi, AM Sarotti The Journal of organic chemistry 80 (24), 12526-12534, 2015 | 1042 | 2015 |
Recent applications of levoglucosenone as chiral synthon A M Sarotti, M M Zanardi, R A Spanevello, A G Suarez Current Organic Synthesis 9 (4), 439-459, 2012 | 120 | 2012 |
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 MO Marcarino, S Cicetti, MM Zanardi, AM Sarotti Natural Product Reports 39 (1), 58-76, 2022 | 112 | 2022 |
NMR calculations with quantum methods: development of new tools for structural elucidation and beyond MO Marcarino, MM Zanardi, S Cicetti, AM Sarotti Accounts of Chemical Research 53 (9), 1922-1932, 2020 | 108 | 2020 |
GIAO C–H COSY simulations merged with artificial neural networks pattern recognition analysis. Pushing the structural validation a step forward MM Zanardi, AM Sarotti The Journal of organic chemistry 80 (19), 9371-9378, 2015 | 89 | 2015 |
Sensitivity analysis of DP4+ with the probability distribution terms: Development of a universal and customizable method MM Zanardi, AM Sarotti The Journal of Organic Chemistry 86 (12), 8544-8548, 2021 | 85 | 2021 |
Determination of the relative configuration of terminal and spiroepoxides by computational methods. Advantages of the inclusion of unscaled data MM Zanardi, AG Suárez, AM Sarotti The Journal of organic chemistry 82 (4), 1873-1879, 2017 | 61 | 2017 |
Redefining the impact of Boltzmann analysis in the stereochemical assignment of polar and flexible molecules by NMR calculations MM Zanardi, MO Marcarino, AM Sarotti Organic letters 22 (1), 52-56, 2019 | 54 | 2019 |
ML-J-DP4: An Integrated Quantum Mechanics-Machine Learning Approach for Ultrafast NMR Structural Elucidation YH Tsai, M Amichetti, MM Zanardi, R Grimson, AH Daranas, AM Sarotti Organic Letters 24 (41), 7487-7491, 2022 | 40 | 2022 |
Synthesis of a simple chiral auxiliary derived from levoglucosenone and its application in a Diels–Alder reaction MM Zanardi, AG Suárez Tetrahedron letters 50 (9), 999-1002, 2009 | 34 | 2009 |
General quantum-based NMR method for the assignment of absolute configuration by single or double derivatization: scope and limitations MM Zanardi, FA Biglione, MA Sortino, AM Sarotti The Journal of Organic Chemistry 83 (19), 11839-11849, 2018 | 27 | 2018 |
The risks of automation: A study on dft energy miscalculations and its consequences in nmr-based structural elucidation MO Marcarino, MM Zanardi, AM Sarotti Organic letters 22 (9), 3561-3565, 2020 | 22 | 2020 |
Synthesis of new chiral 1, 3-aminoalcohols derived from levoglucosenone and their application in asymmetric alkylations MM Zanardi, AG Suárez Tetrahedron Letters 56 (24), 3762-3765, 2015 | 17 | 2015 |
On the effect of intramolecular H-bonding in the configurational assessment of polyhydroxylated compounds with computational methods. The hyacinthacines case MM Zanardi, MA Sortino, AM Sarotti Carbohydrate research 474, 72-79, 2019 | 15 | 2019 |
DP4+ App: Finding the best balance between computational cost and predictive capacity in the structure elucidation process by DP4+. Factors analysis and automation BA Franco, ER Luciano, AM Sarotti, MM Zanardi Journal of Natural Products 86 (10), 2360-2367, 2023 | 12 | 2023 |
New chiral 1, 2-aminoalcohols derived from biomass and their application in diethyl zinc additions MM Zanardi, MC Botta, AG Suárez Tetrahedron Letters 55 (42), 5832-5835, 2014 | 12 | 2014 |
Recently Viewed AAA Aguilar, SJB Avila, TS Kaufman, EL Larghi, MJ Riveira, ... Org. Lett 20 (16), 5058-5061, 2018 | 8 | 2018 |
Efficient Production of the Flavoring Agent Zingerone and of both (R)- and (S)-Zingerols via Green Fungal Biocatalysis. Comparative Antifungal Activities between … LA Svetaz, MG Di Liberto, MM Zanardi, AG Suárez, SA Zacchino International Journal of Molecular Sciences 15 (12), 22042-22058, 2014 | 7 | 2014 |
Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen‐Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory MO Marcarino, L Passaglia, MM Zanardi, AM Sarotti Chemistry–A European Journal 29 (35), e202300420, 2023 | 6 | 2023 |
Palladium-Catalyzed Formation of Substituted Tetrahydropyrans: Mechanistic Insights and Structural Revision of Natural Products F Della-Felice, FF de Assis, AM Sarotti, RA Pilli Synthesis 51 (07), 1545-1560, 2019 | 6 | 2019 |