Author(s): Jefferson Lorençoni de Morais1,2*, Heliel Gabriel Borges de Sena3, Larissa Neres Barbosa3, Lanna Araújo Gomes3
DOI: https://doi.org/10.71431/IJRPAS.2026.5406
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Cite: Jefferson Lorençoni de Morais, Heliel Gabriel Borges de Sena, Larissa Neres Barbosa, Lanna Araújo Gomes. Digital Twin Framework for Modeling the Aqueous Degradation of Allicin and Its Nanocomplexes: Integrating DFT Thermodynamics, Molecular Dynamics Surrogate, and Experimental Validation. IJRPAS, April 2026; 5(4): 82-96. https://doi.org/10.71431/IJRPAS.2026.5406
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