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Raman scattering investigations based on density functional theory (DFT) calculations were performed to explore the vibrational modes of wurtzite structured CdS nanoparticles (NPs). The calculations were performed to obt...

The electronic, structural and vibrational properties of gallium phosphide diamondoids and nanocrystals were investigated using density functional theory at PBE/6-31(d) level, which included polarization functions. The e...

A structural and vibrational theoretical study for vanadyl nitrate was carried out. The Density Functional Theory (DFT) has been used to study vibrational properties. The structures were fully optimized at the B3LYP/6-31...

Tip-enhanced Raman spectroscopy (TERS) has recently been developed to push the spatial resolution down to single-chemical-bond scale. The morphology of the scanning tip, especially the atomistic protrusion at the tip ape...

Chromyl fluorosulphate was prepared and characterized it by infrared spectroscopy. The Density functional theory (DFT) has been used to study its structure and vibrational properties. The molecular structure of the compo...