In this research, by grafting B12N12 nanocluster on C50 fullerene, new structures of
nanobuds were designed and the possibility of forming these nanobuds was investigated …

The electronic and nonlinear optical properties of first row transition metals (TM)-doped bowl-
shaped B 36 nanosheet were explored using DFT calculations. The transition metals (Sc, Ti …

In this research, carbon nanotubes and B12N12 nanocage were combined together and, in
different configurations, a covalent bond between them was created to design new …

In this research, the effects of the substitutions on structure, electronic, Non-Linear Optical
(NLO) and optical properties of [22] annulene was studied. Decreasing in the values of E g …

In this research, it is tried to improve electrical, optical, and non-linear optical (NLO)
properties of boron-dipyrromethene (BODIPY) as a very optically active molecule. The …

In this research, the annulene molecule was selected as pi electron skeleton and the
electron donor and acceptor groups were attached to it and their energetic, electronic …

In this study, based on new designed and reported molecules with chemical formula of C 13
H 13 B 2 N, novel electrically and optically active oligomers with different size were …

In this research, different donor and acceptor substitutions were employed in attachment
with porphyrin molecule and the optical properties improvement of it was studied. It was …

In this research, the circulene molecule was selected, and the electron donor and acceptor
groups were attached to improve its optical properties. Large negative values of enthalpies …