DFT calculations of (1)H- and (13)C-NMR chemical shifts of 3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazol-5-amine in solution

por Safi, Zaki S., Wazzan, Nuha
Publicado 2022

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

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

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...

por Albarakati, Roqaya, Al-Qurashi, Ohoud, Safi, Zaki, Wazzan, Nuha
Publicado 2023

A Combined Experimental and Computational (DFT, RDF, MC and MD) Investigation of Epoxy Resin as a Potential Corrosion Inhibitor for Mild Steel in a 0.5 M H(2)SO(4) Environment

por Hsissou, Rachid, Dahmani, Khadija, El Magri, Anouar, Hmada, Abdelfettah, Safi, Zaki, Dkhireche, Nadia, Galai, Mouhsine, Wazzan, Nuha, Berisha, Avni
Publicado 2023

Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

por Dagdag, Omar, Safi, Zaki, Erramli, Hamid, Cherkaoui, Omar, Wazzan, Nuha, Guo, Lei, Verma, Chandrabhan, Ebenso, E. E., El Harfi, Ahmed
Publicado 2019

Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies

por Dagdag, Omar, Safi, Zaki, Qiang, Yujie, Erramli, Hamid, Guo, Lei, Verma, Chandrabhan, Ebenso, Eno E., Kabir, Abuzar, Wazzan, Nuha, El Harfi, Ahmed
Publicado 2020

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 sim...

por Dagdag, Omar, El Harfi, Ahmed, El Gouri, Mustapha, Safi, Zaki, Jalgham, Ramzi T.T., Wazzan, Nuha, Verma, Chandrabhan, Ebenso, E.E., Pramod Kumar, U.
Publicado 2019

Epoxy pre-polymers as new and effective materials for corrosion inhibition of carbon steel in acidic medium: Computational and experimental studies

por Dagdag, Omar, Safi, Zaki, Hsissou, Rachid, Erramli, Hamid, El Bouchti, Mehdi, Wazzan, Nuha, Guo, Lei, Verma, Chandrabhan, Ebenso, E. E., El Harfi, Ahmed
Publicado 2019

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

por Dagdag, Omar, El Harfi, Ahmed, Cherkaoui, Omar, Safi, Zaki, Wazzan, Nuha, Guo, Lei, Akpan, E. D., Verma, Chandrabhan, Ebenso, E. E., Jalgham, Ramzi T. T.
Publicado 2019