Ohoud S. Al−Qurashi

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

Nuha Wazzan, Ohoud S. Al−Qurashi, Hassan M. Faidallah · Journal of Molecular Liquids · 2016 · 48 citations

Nbo Analyses, Heterocyclic, Photochemistry +7

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, Nuha Wazzan et al. · Journal of Molecular Modeling · 2020 · 45 citations

Organic Charge-transfer Compound, Chemical Engineering, Optical Materials +12

A new approach for the evaluation of liquid waste generated from plant extraction process for the corrosion mitigation of carbon steel in acidic medium: Case of Chrysanthemum Coronarium stems

Rachid Kellal, Driss Benmessaoud Left, Zaki Safi et al. · Journal of Industrial and Engineering Chemistry · 2023 · 29 citations

Chemical Engineering, Engineering, Acidic Medium +8

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

Geradius Deogratias, Ohoud S. Al−Qurashi, Nuha Wazzan et al. · Structural Chemistry · 2020 · 28 citations

Organic Charge-transfer Compound, Optical Materials, Theoretical Study +13

Multiscale computational modeling of phytochemicals for iron corrosion inhibition: Bridging DFT, SCC-DFTB, and molecular dynamics for eco-friendly solutions

Nuha Wazzan, I.B. Obot, Hassane Lgaz et al. · Journal of Molecular Liquids · 2024 · 28 citations

Chemical Kinetics, Chemical Engineering, Engineering +13