Density functional theory (DFT) calculations allow us to reproduce the SERS (surface-
enhanced Raman scattering) spectra of molecules adsorbed on nanostructured metal …

Both surface enhanced Raman spectroscopy (SERS) experiments and density functional
theory (DFT) calculations have been carried out to investigate the adsorption of cysteine on …

Pramipexole (PPX) is known in the treatment of Parkinson's disease and restless legs
syndrome. We carried out a theoretical investigation on pramipexole–Au cluster interactions …

An efficient method was developed for quantitative detection of methimazole using surface
enhanced Raman spectroscopy (SERS). Silver nanoparticles (AgNPs) were prepared by a …

A Surface-Enhanced Raman Scattering (SERS) spectrum of 4-cyanopyridine (4CNPy) was
recorded on silver plasmonic nanoparticles and analyzed by using Density Functional …

This paper reports the adsorptive behavior of the 4-mercaptopyridine (4MPy) molecule
soaked in gold nanoparticles (AuNPs) that remain embedded in the bilayer Langmuir …

Intense SERS spectra of the natural amino acid ergothioneine (ERG) are obtained on
different substrates upon 785 nm excitation. A characteristic spectral pattern with a …

The present study pertains to the theoretical understanding of the adsorption mechanisms
and energetics of interaction between the anticancer drug Gemcitabine (GEM) and nano …

Very recently, the poor contact between the perovskite and carrier selective layer has been
regarded as a critical issue for improving the performance and stability of perovskite solar …

Gold nanoparticles (AuNPs) were set up by a reduction technique and fabricated as SERS
substrates for methimazole detection, which is of therapeutic significance. The morphology …