Two-photon photodynamic therapy (TP-PDT), as a new method for cancer, has shown
unique advantages in tumors. A low two-photon absorption cross-section (δ) in the biologic …

Background Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk
Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density …

Abstract Two molecules, 1-hydroxypyrene-2-carbaldehyde (HP) and 1-methoxypyrene-2-
carbaldehyde (MP) were explored. We investigated their photophysical properties, using …

Triazatruxene derivatives and heterofluorenes have drawn increasing attention in the
applications of OLED devices due to their particular electronic structures and optical …

This study focuses on optoelectronic features of a series of DAD molecules composed of
thiophene, ethylenedioxythiophene, or 3, 4-dimethoxythiophene acceptor groups substituted …

Computational investigations are carried out to design new molecules based on thiophene
cores substituted in several positions using different end-capped electron-donating groups …

Coumarins are deployed in numerous bioimaging and biosensing applications. Among
various coumarin derivatives, 6-aminocoumarins attract increasing attention for their red …

This study mainly focuses on modelling and analysis of the reference molecule (M104) as
well as four engineered molecules (MMS1-MMS4) as Hole Transport Materials or as light …

Long-range corrected time-dependent density functional theory (LC-TDDFT) has been
applied to compute singlet vertical electronic excitations of oligothiophene molecules and …

Ab initio second-order algebraic diagrammatic construction (ADC (2)) calculations using the
resolution of the identity (RI) method have been performed on poly-(p-phenylenevinylene) …