Based on the ab initio calculations,we first investigated the nonlinear optical(NLO)properties of the doped carbon nanotube(CNT)systems with the triangular
The infrared spectra of amide I bands of protein can reflect valuable protein conformational information and provide insight into the protein folding and ot
A class of D-π-A type sensitizers with rigid π-bridges used in dye sensitized solar cells has been investigated by means of quantum chemical calculations.
The electronic structures and photophysical properties of a series of blue phosphorescent heteroleptic platinum complexes with phenylene-bridged pincer liga
Characterization and control of the shape of nanoparticles has a primary importance in nanoscience and nanotechnology since most of the physical and chemica
In this study,DFT and TDDFT were employed to investigate the geometries,electronic structures,reorganization energy and photophysical properties of four cyc