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Understanding the interaction mechanisms of active compounds extracted from Tabernaemontana penduliflora on the surface of magnetite (111) nanoparticles in aqueous medium by DFT and MD approaches

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Computational techniques have been used to analyze the molecules of 10-hydroxycoronahydine (HC) and voacangine hydroxyindolenine (VH) molecules with the aim of studying the effect of base and temperature on their interaction mechanisms during synthesis green m... ...