Nuha A. Wazzan

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.

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.

Theoretical Calculation of the Adiabatic Electron Affinity and Vertical Electron Affinity of Some Hydantoin drugs

Z. Safi, Nuha A. Wazzan, 2023, Journal of Saudi Chemical Society.

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.

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.

Theoretical calculation of the adiabatic electron affinities of the monosubstituted benzaldehyde derivatives

Z. Safi, Nuha Wazzan, Nuha A. Wazzan, 2023, Journal of King Saud University - Science.

Cis-Trans isomerisation of azobenzenes studied by laser-coupled NMR spectroscopy and DFT calculations

Anita C Jones, Patricia R. Richardson, N. Wazzan, 2010, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.

Theoretical study of triphenylamine-based organic dyes with mono-, di-, and tri-anchoring groups for dye-sensitized solar cells

N. Wazzan, A. Irfan, Nuha Wazzan, 2018, Organic Electronics.

Adsorption properties of coriander seeds: Spectroscopic kinetic thermodynamic and computational approaches

N. Wazzan, Z. Safi, R. Hsissou, 2021, Journal of Molecular Liquids.

Anticorrosive properties of Hexa (3-methoxy propan-1,2-diol) cyclotri-phosphazene compound for carbon steel in 3% NaCl medium: gravimetric, electrochemical, DFT and Monte Carlo simulation studies

E. Ebenso, Z. Safi, C. Verma, 2019, Heliyon.

Rheological, electrochemical, surface, DFT and molecular dynamics simulation studies on the anticorrosive properties of new epoxy monomer compound for steel in 1 M HCl solution

O. Cherkaoui, E. Ebenso, Z. Safi, 2019, RSC advances.

DFT calculations of the tautomerization and NLO properties of 5-amino-7-(pyrrolidin-1-yl)-2,4,4-trimethyl-1,4-dihydro-1,6-naphthyridine-8-carbonitrile (APNC)

N. Wazzan, Z. Safi, Nuha Wazzan, 2017 .

Crystal growth, morphological, mechanical, spectroscopic studies, optical properties, molecular docking, ADME/T, Hirshfeld surfaces analysis and theoretical calculations of hybrid organic-inorganic phosphate compound

Z. Safi, T. Guedira, A. Rafik, 2024, Inorganic Chemistry Communications.

DFT investigation of graphene quantum dot-Ixora floral natural dye (GQD-NDIX) nanocomposites as visible light harvesters in dye-sensitized solar cells

A. Irfan, Nuha Wazzan, Taghreed M. Fagieh, 2022, Journal of Molecular Liquids.