This work investigates the structural and nonlinear optical properties of a D-A type 1-[4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)phenyl]ethanone, MMP in which charge transfer occurs from -SCH3 donor to -COCH3 acceptor group through methylidene backbone; and some of its modeled analogues using quantum chemical calculations with pure BLYP and hybrid B3LYP correlation with high basis se...

We present an analysis of broad emission lines observed in moderate-luminosity active galactic nuclei (AGNs), typical of those found in X-ray surveys of deep fields, with the aim to test the validity of singleepoch virial black hole mass estimates. We have acquired near-infrared (NIR; 1.0 − 1.8 μm) spectra of AGNs up to z ∼ 1.8 in the COSMOS and Extended Chandra Deep Field-South Survey, with th...

Intramolecular singlet fission (iSF) has shown potential to improve the power conversion efficiency in photovoltaic devices by promoting splitting of a photon-absorbing exciton into two triplet excitons within single molecule. Among different possibilities, donor–acceptor modular strategy copolymers great promise its ability undergo iSF under certain conditions. However, number reported literat...

multi-environment trials play a significant role in selecting the best cultivars to be used at different locations. the objective of this study was to identify grain and forage yields stability of grass pea advanced lines across different locations. the 14 advanced lines of grass pea, developed by the international center for agricultural research in dry areas (icarda), were tested at three dif...

The potential energy curves (PEC) of 2 Chalcone (E)-3-(Furan-2-yl)-1-Phenylprop-2-en-1-one (1) were calculated as a function dihedral angle φ(C8-C9-C10-O1) at both ab initio Hartree–Fock (HF) and Density Functional Theory (DFT) using the B3LYP functional together with 6-311++G (d,p) basis set syn- anti-conformers corresponding low conformers determined. optimized molecular structures, vibration...

Based on 1-phenylpyrrolidine (PT) dye, six new metal-free organic molecules S1–S6, containing PT as donor (D) connected through different linkages (π) and cyanoacrylic acid acceptor (A), were designed studied for dye sensitised solar cells (DSSCs). In this paper, D-π-A system of S1–S6 was investigated by quantum chemical calculations to inspect the optical absorption properties photovoltaic (PV...