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 | 1032 | 2015 |
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 | 207 | 2016 |
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 | 119 | 2019 |
Diastereoselective Pd-Catalyzed Anomeric C(sp3)–H Activation: Synthesis of α-(Hetero)aryl C-Glycosides J Ghouilem, C Tran, N Grimblat, P Retailleau, M Alami, V Gandon, ... ACS Catalysis 11 (3), 1818-1826, 2021 | 49 | 2021 |
Computational chemistry driven solution to rubriflordilactone B N Grimblat, TS Kaufman, AM Sarotti Organic Letters 18 (24), 6420-6423, 2016 | 44 | 2016 |
A theoretical study of the Duff reaction: insights into its selectivity N Grimblat, AM Sarotti, TS Kaufman, SO Simonetti Organic & Biomolecular Chemistry 14 (44), 10496-10501, 2016 | 41 | 2016 |
A Hydrogen Bond Rationale for the Enantioselective β-Alkenylboration of Enones Catalyzed by O-Monoacyltartaric Acids N Grimblat, M Sugiura, SC Pellegrinet The Journal of Organic Chemistry 79 (14), 6754-6758, 2014 | 30 | 2014 |
Kinetic resolution of sulfur-stereogenic sulfoximines by Pd (ii)–MPAA catalyzed C–H arylation and olefination K Mukherjee, N Grimblat, S Sau, K Ghosh, M Shankar, V Gandon, ... Chemical Science 12 (44), 14863-14870, 2021 | 23 | 2021 |
Diels–Alder reactions of pinacol alkenylboronates: an experimental and theoretical study MM Vallejos, N Grimblat, SC Pellegrinet RSC advances 4 (68), 36385-36400, 2014 | 20 | 2014 |
Mechanistic insight into the acid-catalyzed isomerization of biomass-derived polysubstituted pyrrolidines: an experimental and DFT study GG Gerosa, N Grimblat, RA Spanevello, AG Suárez, AM Sarotti Organic & Biomolecular Chemistry 15 (2), 426-434, 2017 | 16 | 2017 |
Theoretical investigation of the Diels–Alder reactions of unsaturated boronates N Grimblat, SC Pellegrinet Organic & Biomolecular Chemistry 11 (22), 3733-3741, 2013 | 11 | 2013 |
Thermal decomposition of hexamethylenetetramine: mechanistic study and identification of reaction intermediates via a computational and NMR approach SO Simonetti, TS Kaufman, RM Rasia, AM Sarotti, N Grimblat Organic & Biomolecular Chemistry 19 (34), 7374-7378, 2021 | 10 | 2021 |
α-Hydroxyacids accelerate the Diels–Alder reaction of dibutyl vinylboronate with cyclopentadiene: experimental results and mechanistic insights N Grimblat, AM Sarotti, PL Pisano, SC Pellegrinet New Journal of Chemistry 40 (3), 1966-1969, 2016 | 10 | 2016 |
Reactivity and Selectivity of Boron-Substituted Alkenes in the Diels–Alder Reaction with Cyclopentadiene. A Study of the Electron Charge Density and Its Laplacian MM Vallejos, N Grimblat, SC Pellegrinet The Journal of Physical Chemistry A 118 (29), 5559-5570, 2014 | 10 | 2014 |
Palladium(II)-Catalyzed Annulative Difunctionalization of Two Inert C(sp3)–H Bonds by a Bifunctional Reagent A Ghosh, N Grimblat, S Sau, A Saha, V Gandon, AK Sahoo ACS Catalysis 13 (11), 7627-7636, 2023 | 9 | 2023 |
Expedient Access to Polyaromatic Biaryls by Unconventional Ag-Catalyzed Cycloaromatization of Alkynylthiophenes and Au-Catalyzed Double C–H Activation RK Saunthwal, KM Saini, N Grimblat, AK Danodia, S Kumar, V Gandon, ... Organic Letters 24 (28), 5018-5022, 2022 | 9 | 2022 |
Looking at the big picture in activation strain model/energy decomposition analysis: the case of the ortho–para regioselectivity rule in Diels–Alder reactions N Grimblat, AM Sarotti Organic & Biomolecular Chemistry 18 (6), 1104-1111, 2020 | 7 | 2020 |
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 |
Synthesis of axially chiral biaryl thioglycosides through thiosugar-directed Pd-catalyzed asymmetric C–H activation M Fatthalla, N Grimblat, E Brachet, M Alami, V Gandon, F Le Bideau, ... Chemical Communications 57 (80), 10355-10358, 2021 | 4 | 2021 |
Transient imine as a directing group for the Pd-catalyzed anomeric C (sp 3)–H arylation of 3-aminosugars J Ghouilem, S Bazzi, N Grimblat, P Retailleau, V Gandon, S Messaoudi Chemical Communications 59 (17), 2497-2500, 2023 | 3 | 2023 |