Density Functional Theory Study on the Reactivity and Stability of Calix[n]arene-paba Complexes: Drug Sensor Application
Yeong Yi Wong,
Faridah Lisa Supian,
Afiq Radzwan
et al.
Abstract:As drug carriers, calixarenes are often investigated and employed in numerous sectors as host molecules. The use of calixarenes in drug delivery systems is a relatively new notion, despite the fact that countless studies have been conducted on calixarenes and their various applications. It is worthwhile to research the computational investigation of the host-guest interaction between calixarenes and para-aminobenzoic acid (PABA) in terms of their binding energy and band gap. The first principles study of PABA … Show more
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