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- W2261014958 abstract "In this work, the structural and electronic properties of folic acid molecule on functionalized (7,0)zigzag single-walled carbon nanotube was studied in gas phase on the basis of density functionaltheory (DFT). Furthermore, covalent interaction of folic acid with single-walled carbon nanotube wasinvestigated and its quantum molecular descriptors and binding energies were calculated. The DFTB3LYP/6-311G(d) calculations revealed that the binding energies of single walled carbon nanotubewith folic acid have negative values and decrease with increasing in the number of functionalization." @default.
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- W2261014958 date "2014-09-01" @default.
- W2261014958 modified "2023-09-24" @default.
- W2261014958 title "A DFT STUDY OF INTERACTION OF FOLIC ACID DRUG ON FUNCTIONALIZED SINGLE-WALLED CARBON NANOTUBES" @default.
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