| 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 | 1076 | 2015 |
| A Multi-standard Approach for GIAO 13C NMR Calculations AM Sarotti, SC Pellegrinet The Journal of organic chemistry 74 (19), 7254-7260, 2009 | 264 | 2009 |
| Computational chemistry to the rescue: Modern toolboxes for the assignment of complex molecules by GIAO NMR calculations N Grimblat, AM Sarotti Chemistry–A European Journal 22 (35), 12246-12261, 2016 | 217 | 2016 |
| An efficient microwave-assisted green transformation of cellulose into levoglucosenone. Advantages of the use of an experimental design approach AM Sarotti, RA Spanevello, AG Suárez Green Chemistry 9 (10), 1137-1140, 2007 | 127 | 2007 |
| Combining the Power of J Coupling and DP4 Analysis on Stereochemical Assignments: The J-DP4 Methods N Grimblat, JA Gavín, A Hernández Daranas, AM Sarotti Organic letters 21 (11), 4003-4007, 2019 | 125 | 2019 |
| Levoglucosenone and its new applications: valorization of cellulose residues MB Comba, Y Tsai, AM Sarotti, MI Mangione, AG Suárez, RA Spanevello European Journal of Organic Chemistry 2018 (5), 590-604, 2018 | 122 | 2018 |
| 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 | 121 | 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 | 116 | 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 | 116 | 2020 |
| Application of the Multi-standard Methodology for Calculating 1H NMR Chemical Shifts AM Sarotti, SC Pellegrinet The Journal of Organic Chemistry 77 (14), 6059-6065, 2012 | 110 | 2012 |
| Successful combination of computationally inexpensive GIAO 13 C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid … AM Sarotti Organic & Biomolecular Chemistry 11 (29), 4847-4859, 2013 | 108 | 2013 |
| 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 | 91 | 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 | 90 | 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 | 64 | 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, 2020 | 57 | 2020 |
| 1, 3-Dipolar cycloaddition reactions of azomethine ylides with a cellulose-derived chiral enone. A novel route for organocatalysts development AM Sarotti, RA Spanevello, AG Suárez, GA Echeverría, OE Piro Organic letters 14 (10), 2556-2559, 2012 | 55 | 2012 |
| Joint experimental, in silico, and NMR studies toward the rational design of iminium-based organocatalyst derived from renewable sources GG Gerosa, RA Spanevello, AG Suárez, AM Sarotti The Journal of Organic Chemistry 80 (15), 7626-7634, 2015 | 50 | 2015 |
| Highly Diastereoselective Diels− Alder Reaction Using a Chiral Auxiliary Derived from Levoglucosenone AM Sarotti, RA Spanevello, AG Suárez Organic Letters 8 (7), 1487-1490, 2006 | 48 | 2006 |
| 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 | 44 | 2022 |
| Computational chemistry driven solution to rubriflordilactone B N Grimblat, TS Kaufman, AM Sarotti Organic Letters 18 (24), 6420-6423, 2016 | 44 | 2016 |
Rolando A. SpanevelloInstituto de Química Rosario, Universidad Nacional de RosarioVerified email at fbioyf.unr.edu.ar
