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María Marta Zanardi
María Marta Zanardi
Investigadora Adjunta Conicet-UCA
Email verificata su inv.rosario-conicet.gov.ar
Titolo
Citata da
Citata da
Anno
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
10422015
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
1202012
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
1122022
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
1082020
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
892015
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
852021
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
612017
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
542019
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
402022
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
342009
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
272018
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
222020
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
172015
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
152019
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
122023
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
122014
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AAA Aguilar, SJB Avila, TS Kaufman, EL Larghi, MJ Riveira, ...
Org. Lett 20 (16), 5058-5061, 2018
82018
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
72014
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
62023
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
62019
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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