Ohoud S. Al-Qurashi

发表

Effects of heteroatoms in π-conjugated linkers on the optical and electronic properties of modified triphenylamine based dyes: towards DSSCs’ applications

Geradius Deogratias, Ohoud S. Al-Qurashi, N. Wazzan, 2020, Journal of Molecular Modeling.

DFT investigation on the intramolecular and intermolecular proton transfer processes in 2-aminobenzothiazole (ABT) in the gas phase and in different solvents

Ohoud S. Al-Qurashi, N. Wazzan, Z. Safi, 2019, Structural Chemistry.

PCM/DFT investigation of the hydrogen-bonds capability of 4-[4-(dimethylamino)phenyl]-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile (MAPC)

Ohoud S. Al-Qurashi, Nuha Wazzan, 2017 .

Effect of substituent in the acceptor on optical and electronic properties of triphenylamine based dyes: A density functional theory/time-dependent density functional theory investigation

Geradius Deogratias, Ohoud S. Al-Qurashi, T. Pogrebnaya, 2022, Materials Science in Semiconductor Processing.

Molecular and periodic DFT calculations of the corrosion protection of Fe(110) by individual components of Aerva lanata flower as a green corrosion inhibitor

Ohoud S. Al-Qurashi, Nuha Wazzan, 2022, Journal of Saudi Chemical Society.

DFT/ and TD-DFT/PCM calculations of molecular structure, spectroscopic characterization, NLO and NBO analyses of 4-(4-chlorophenyl) and 4-[4-(dimethylamino) phenyl]-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile dyes

Ohoud S. Al-Qurashi, H. Faidallah, Nuha Wazzan, 2016 .

Optoelectronic properties of Portulacaxanthin III (PXIII), GQD/Os-GQD-PXIII nanocomposites, and their coupling with photoanode in dye-sensitized solar cells: Molecular and periodic DFT calculations

Ohoud S. Al-Qurashi, Nuha Wazzan, 2023, Optik.

Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube

Ohoud S. Al-Qurashi, Nuha Wazzan, 2021, ACS omega.

Single- and co-sensitization of triphenylamine-based and asymmetrical squaraine dyes on the anatase (001) surface for DSSC applications: Periodic DFT calculations.

Ohoud S. Al-Qurashi, Abdesslem Jedidi, Nuha Wazzan, 2021, Journal of molecular graphics & modelling.

Investigation of optoelectronic properties of triphenylamine-based dyes featuring heterocyclic anchoring groups for DSSCs’ applications: a theoretical study

Geradius Deogratias, Ohoud S. Al-Qurashi, T. Pogrebnaya, 2020, Structural Chemistry.

Modeling of efficient pyrene-core substituted with electron-donating groups as hole-transporting materials in perovskite solar cells

Ohoud S. Al-Qurashi, A. Irfan, Nuha Wazzan, 2019, Solar Energy.

Performance enhancement of catechin-graphene quantum dot nanocomposites functionalized with carboxyl and doped/decorated with boron towards dye-sensitized solar cell applications: DFT and TD-DFT calculations.

Ohoud S. Al-Qurashi, Nuha Wazzan, Nuha A. Alsmani, 2023, Journal of molecular graphics & modelling.

Exploring the effect of mono- and di-fluorinated triphenylamine-based molecules as electron donors for dye-sensitised solar cells

Ohoud S. Al-Qurashi, I. Obot, Nuha Wazzan, 2019, Molecular Simulation.

Optical and electronic properties enhancement via chalcogenides: promising materials for DSSC applications

Geradius Deogratias, Ohoud S. Al-Qurashi, Nuha Wazzan, 2023, Journal of Molecular Modeling.

DFT investigation on the linear and nonlinear optical properties of the tautomers and derivatives of 2-aminobenzothiazole (ABT) in the gas phase and different solvents

Ohoud S. Al-Qurashi, Z. Safi, Nuha Wazzan, 2020 .

A dispersion-corrected DFT calculation on encapsulation of favipiravir drug used as antiviral against COVID-19 into carbon-, boron-, and aluminum-nitride nanotubes for optimal drug delivery systems combined with molecular docking simulations

Ohoud S. Al-Qurashi, Z. Safi, Nuha Wazzan, 2023, Structural chemistry.

Theoretical investigation of the nitrogen-heterocyclic as π-linker in diphenylthienylamine-based dyes adsorbed on TiO2 nanotubes for DSSCs applications

Ohoud S. Al-Qurashi, Nuha Wazzan, 2021 .

Designed complexes based on betanidin and L0 Dyes for DSSCs: thermodynamic and optoelectronic properties from DFT study

Ohoud S. Al-Qurashi, N. Wazzan, T. Pogrebnaya, 2022, Molecular Simulation.

A dispersion-corrected DFT calculation on encapsulation of favipiravir drug used as antiviral against COVID-19 into carbon-, boron-, and aluminum-nitride nanotubes for optimal drug delivery systems combined with molecular docking simulations

Ohoud S. Al-Qurashi, Z. Safi, Roqaya Albarakati, 2023, Structural chemistry.