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Design of New Schiff Bases and Their Heavy Metal Ion Complexes for Environmental Applications: A Molecular Dynamics and Density Function Theory Study.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 8, p. 4159, doi. 10.3390/ijms25084159
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The oxidation of d‐galactose into mucic acid (galactaric acid): experimental and computational insights towards a bio‐based platform chemical.
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- Asian Journal of Organic Chemistry, 2024, v. 13, n. 3, p. 1, doi. 10.1002/ajoc.202300649
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- Article
Density Functional Theory Calculations: A Useful Tool to Investigate Mechanisms of 1,3-Dipolar Cycloaddition Reactions.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 2, p. 1298, doi. 10.3390/ijms25021298
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- Article
Development of AMBER Parameters for Molecular Simulations of Selected Boron-Based Covalent Ligands.
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- Molecules, 2023, v. 28, n. 6, p. 2866, doi. 10.3390/molecules28062866
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Chitosan/POSS Hybrid Hydrogels for Bone Tissue Engineering.
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- Materials (1996-1944), 2022, v. 15, n. 22, p. 8208, doi. 10.3390/ma15228208
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- Article
Chemoselective Oxidation of Isoxazolidines with Ruthenium Tetroxide: A Successful Intertwining of Combined Theoretical and Experimental Data.
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- Molecules, 2022, v. 27, n. 17, p. 5390, doi. 10.3390/molecules27175390
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- Article
Alkene Epoxidations Mediated by Mn-Salen Macrocyclic Catalysts.
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- Catalysts (2073-4344), 2021, v. 11, n. 4, p. 465, doi. 10.3390/catal11040465
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- Article
Polystyrene Nanocomposites Reinforced with Novel Dumbbell-Shaped Phenyl-POSSs: Synthesis and Thermal Characterization.
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- Polymers (20734360), 2019, v. 11, n. 9, p. 1475, doi. 10.3390/polym11091475
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- Article
Peptide Hydration Phenomena through a Combined Quantum Chemical and Bottom-Up Approach.
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- Zeitschrift für Physikalische Chemie, 2016, v. 230, n. 9, p. 1373, doi. 10.1515/zpch-2016-0753
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- Article
Synthesis of 5-Alkynyl Isoxazolidinyl Nucleosides.
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- European Journal of Organic Chemistry, 2011, v. 2011, n. 28, p. 5690, doi. 10.1002/ejoc.201100767
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- Article
Synthesis of N,O-homonucleosides with high conformational freedom.
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- ARKIVOC: Online Journal of Organic Chemistry, 2009, p. 168
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- Article