| Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: New insights FLP Costa, ACF de Albuquerque, RG Fiorot, LM Lião, LH Martorano, ... Organic Chemistry Frontiers 8 (9), 2019-2058, 2021 | 71 | 2021 |
| GIAO‐HDFT scaling factor for 13C NMR chemical shifts calculation FLP Costa, ACF de Albuquerque, FM dos Santos Jr, MB de Amorim Journal of Physical Organic Chemistry 23 (10), 972-977, 2010 | 58 | 2010 |
| Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel CM Fernandes, VGSS Pina, LX Alvarez, ACF de Albuquerque, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 599, 124857, 2020 | 56 | 2020 |
| Absolute configuration of (−)-Centratherin, a sesquiterpenoid lactone, defined by means of chiroptical spectroscopy FMS Junior, CL Covington, ACF de Albuquerque, JFR Lobo, RM Borges, ... Journal of natural products 78 (11), 2617-2623, 2015 | 39 | 2015 |
| Structural determination of complex natural products by quantum mechanical calculations of 13C NMR chemical shifts: development of a parameterized protocol for … ACF de Albuquerque, DJ Ribeiro, MB de Amorim Journal of molecular modeling 22, 1-7, 2016 | 29 | 2016 |
| 3-Ishwarone, a Rare Ishwarane Sesquiterpene from Peperomia scandens Ruiz & Pavon: Structural Elucidation through a Joint Experimental and Theoretical Study FM dos S. Junior, LSM Velozo, EM de Carvalho, AM Marques, RM Borges, ... Molecules 18 (11), 13520-13529, 2013 | 21 | 2013 |
| Isolation, identification, relative configuration and conformational analysis of loliolide by GIAO-HDFT 1H and 13C NMR chemical shifts calculations FLP Costa, SBO de Fernandes, CE Fingolo, F Boylan, ... Quantum Matter 5 (5), 675-679, 2016 | 14 | 2016 |
| Absolute Configuration of (−)-Cubebin, a Classical Lignan with Pharmacological Potential, Defined by Means of Chiroptical Spectroscopy A MACEDO, L MARTORANO, ANAC DE ALBUQUERQUE, R FIOROT, ... Journal of the Brazilian Chemical Society 31 (10), 2030-2037, 2020 | 12 | 2020 |
| Unraveling the helianane family: A complementary quantum mechanical study LH Martorano, AL Valverde, CMR Ribeiro, ACF de Albuquerque, ... New Journal of Chemistry 44 (19), 8055-8060, 2020 | 12 | 2020 |
| Bathysa australis Vanillic Acid (4-hydroxy-3-methoxybenzoic acid) Isolation by Countercurrent Chromatographic and Characterization by NMR 1H and 13C Experimental and … FLP Costa, F das Neves, ACF de Albuquerque, FM dos Santos Junior, ... Journal of Computational and Theoretical Nanoscience 11 (8), 1732-1737, 2014 | 12 | 2014 |
| Absolute configuration reassignment of nectamazin A: Implications to related neolignans ANL Batista, CHT Santos, ACF de Albuquerque, FM Santos Jr, FR Garcez, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 304, 123283, 2024 | 5 | 2024 |
| A Comparative Quantum Chemical Study of a Novel Synthetic Prenylated Chalcone: High Accuracy of NMR 13 C GIAO-DFT Scaling Factor Calculations at the mPW91PW91/6-31 G(d) Level … FLP COSTA, GVS MOTA, ACF de ALBUQUERQUE, FM SANTOS JR., ... Journal of Computational and Theoretical Nanoscience 12, 2202-2207, 2015 | 5 | 2015 |
| High Cost-Effectiveness Ratio: GIAO-mPW1PW91/6-31 G (d)//PM7 Scaling Factor for 13C NMR Chemical Shifts Calculation FLP Costa, ACF de Albuquerque, FM dos Santos Junior, MB de Amorim J. Comput. Theor. Nanosci. 12, 2195, 2015 | 5 | 2015 |
| Milligram scale enantioresolution of promethazine and its main metabolites, determination of their absolute configuration and assessment of enantioselective effects on human SY … MM Coelho, I Costa, ACF de Albuquerque, FM dos Santos Junior, B Silva, ... Journal of Pharmaceutical and Biomedical Analysis 245, 116152, 2024 | 4 | 2024 |
| Revisiting the structure of Heliannuol L: A computational approach LH Martorano, JT Brito, ACF de Albuquerque, CMR Ribeiro, RG Fiorot, ... Magnetic Resonance in Chemistry 60 (4), 434-441, 2022 | 4 | 2022 |
| Are we still chasing molecules that were never there? The role of quantum chemical simulations of NMR parameters in structural reassignment of natural products ACF de Albuquerque, LH Martorano, FM dos Santos Jr Frontiers in Natural Products 2, 1321043, 2024 | 3 | 2024 |
| Combined application of DP4+ and ANN‐PRA to determine the relative configuration of natural products: The alpha‐bisabol case study FM dos Santos Jr, GV da Silva Mota, LH Martorano, ACF de Albuquerque, ... Magnetic Resonance in Chemistry 60 (6), 533-540, 2022 | 3 | 2022 |
| Estudo das Estruturas Químicas dos Helianuois G e H por Cálculos Teóricos dos Deslocamentos Químicos de RMN de ¹H LH Martorano, JT Brito, ACF de Albuquerque, RG Fiorot, CMR Ribeiro, ... Rev. Virtual Quim. 13, 1140-1146, 2021 | 3 | 2021 |
| Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts ACF de Albuquerque, GS Corrêa, GT Albuquerque, FLP Costa, LT Costa, ... Journal of Molecular Modeling 28 (8), 239, 2022 | 2 | 2022 |
| Gauge-including-atomic-orbitals-mPW1PW91/6-31G (d) scaling factor as a satisfactory cost-effectiveness ratio for H-1 nuclear magnetic resonance chemical shift calculations EF Cardoso, ACF de Albuquerque, AMJ Neto, GVS Mota, FLP Costa Advanced Science, Engineering and Medicine 12 (8), 1095-1101, 2020 | 2 | 2020 |
Fernando Martins dos Santos JuniorUniversidade Federal FluminenseZweryfikowany adres z id.uff.br
