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Sumanene as a delivery system for 5-fluorouracil drug – DFT, SAPT and MD study

Tom Reichert, Marija Vučićević, Paula Hillman, Marcus Bleicher, Sanja J. Armaković, Stevan Armaković

2021Journal of Molecular Liquids34 citationsDOI

Topics & Concepts

ChemistryCoroneneMolecular dynamicsMoleculevan der Waals forceDensity functional theoryBinding energyCurvatureSpectral lineComputational chemistryChemical physicsAtomic physicsPhysicsMathematicsGeometryAstronomyOrganic chemistryGraphene research and applicationsPorphyrin and Phthalocyanine ChemistryFullerene Chemistry and Applications
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