Publication | Closed Access
A DFT study on the interaction between 5-fluorouracil and B<sub>12</sub>N<sub>12</sub> nanocluster
93
Citations
34
References
2016
Year
EngineeringNanoclusterPhysicsStable InteractionSpectroscopyNatural SciencesSpectra-structure CorrelationComputational ChemistryMolecular SimulationQuantum ChemistryChemistryDft StudyMolecular DockingMolecular Modeling5-Fu Drug MoleculeNitrogen HeadBiophysicsMolecular Design
The most stable interaction of 5-FU drug molecule from its nitrogen head (di-enol form) over B<sub>12</sub>N<sub>12</sub> nano-cage is determined using density functional theory calculations.
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