Ever since the inception of the industrial revolution, artificial acceleration of swift economic
development has contributed to the continuous and ever-increasing demand for energy …

Electronic properties study of nanostructure represents one of the most vibrant fields of
condensed matter physics. We derived vibration modes of some molecules by comparison …

Metallic nanotips exhibit large electric field enhancements over an extremely broad
bandwidth spanning from the optical domain down to static fields. They therefore constitute …

We investigate different dynamic mechanisms, reflection and phase matching, of surface
plasmons in a three-dimensional single-crystalline gold taper excited by relativistic …

The investigation of fundamental mechanisms taking place on a femtosecond time scale is
enabled by ultrafast pulsed laser sources. Here, the control of pulse duration, center …

In this manuscript we chose Monte Carlo simulation in MM+, AMBER and OPLS force field to
calculate potential energy. Then, we investigated vibrational analysis in semi empirical …

The interaction of the Si 6 O 12 molecule over the CNTs have been investigated with density
functional theory using HF and B3LYP method and 6-31G, 6-31G** and 6-311G** basis sets …

Giant surface-enhanced Raman scattering (SERS) discovered for organic molecules
adsorbed on electrochemically roughened silver surfaces has served as a power impetus to …

In this research, we have studied of solvent effects on the relative energies and dipole
moment values and the structural properties of water, methanol and ethanol surrounding …

Density functional theory calculations (DFT), as well as hybrid methods (B3LYP) and HF
method for CNT-Calixarene complexes have been carried out to study structural stability …