السيرة الذاتية

المؤهلات

الدكتوراه

2007

‏الكيمياء

جامعة ليفربول | بريطانيا

البكالوريوس

1417

الكيمياء

جامعة أم القرى | المملكة العربية السعودية

الأبحاث العلمية

Achieving high hydrogen storage capacity by OLi3 clusters on Be3N2 monolayers

2026

مقال في مجلة | ELSEVIER | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

أكثر

π-Hole Interactions Versus π-Hole⋯π-Hole Interactions of Halogen-Bearing Molecules: An Ab Initio Study

2026

مقال في مجلة | WILEY | Journal of Chemistry

أكثر

Structural, Electronic and Sensing Properties of Al-Doped B36 Nanocluster Toward Chemical Warfare Agents

2025

مقال في مجلة | SPRINGER | Journal of Inorganic and Organometallic Polymers and Materials

أكثر

DFT Insights Into the Efficacy of Pure and Halide-Encapsulated Aluminium Nitride Nanocages as Anode Electrode for Metal-Ion Batteries

2025

مقال في مجلة | WILEY-V C H VERLAG GMBH | International Journal of Energy Research

أكثر

Investigating the Adsorption and Electronic Properties of Hydroxyurea on Pristine and Carbon Doped B24N24 Nanocages

2025

مقال في مجلة | SPRINGER | JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS

أكثر

In-Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment

2025

مقال في مجلة | WILEY-V C H VERLAG GMBH | CHEMISTRYOPEN

أكثر

A DFT investigation of beryllium oxide (Be12O12) as a nanocarrier for dacarbazine anticancer drug

2025

مقال في مجلة | Elsevier | POLYHEDRON

أكثر

Evaluation of porphyrin molecules as effective corrosion inhibitors for copper alloy in sulfuric acid using both experimental and computational approaches

2025

مقال في مجلة | INT ASSOC PHYSICAL CHEMISTS-IAPC | JOURNAL OF ELECTROCHEMICAL SCIENCE AND ENGINEERING

أكثر

Interactions of hypervalent IF5 and XeF4O molecules via σ-hole site with Lewis bases and anions: a comparative ab initio study

2025

مقال في مجلة | RSC | RSC ADVANCES

أكثر

QSAR study and theoretical investigation on the lethality of halogenated aliphatic hydrocarbons toward Aspergillus (A.) Nidulans

2024

مقال في مجلة | AMER INST MATHEMATICAL SCIENCES-AIMS | AIMS Environmental Science

Electronic analysis of 1-ethyl-3-methyl imidazolium halide adsorption on AlN nanoflakes

2025

مقال في مجلة | Elsevier | Journal of Molecular Graphics and Modelling

أكثر

A comparative analysis of X-encapsulated (X= F􀀀 , Cl􀀀 , Br􀀀 ) and doped B38 (Al or N atom) nanocages for lithium-ion Batteries

2024

مقال في مجلة | ELSEVIER | Synthetic Metals

أكثر

Computational exploration of SF6 adsorption and decomposition on SiGe and calcium‑decorated SiGe surfaces

2024

مقال في مجلة | SPRINGER | Adsorption

أكثر

Insights into different toxic molecular gases on the Fe-dimer anchored at C2N monolayer as potential sorbents and gas sensors: A theoretical approach

2024

مقال في مجلة | ELSEVIER | Journal of Physics and Chemistry of Solids

أكثر

Exploring Pyrimidine-Based azo Dyes: Vibrational spectroscopic Assignments, TD-DFT Investigation, chemical Reactivity, HOMO-LUMO, ELF, LOL and NCI-RDG analysis

2024

مقال في مجلة | ELSEVIER | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

أكثر

Design, synthesis, molecular docking, ADMET studies, and biological activity evaluation of new 2-({[3-aryl-1,2,4-oxadiazol-5-yl)methyl] thio}-1H-benzimidazoles and 6-amino-6-aryl-5,6-dihydro[1,6,2,4] oxathiadiazocino[4,5-a]benzimidazol-3(2H)-ones

2024

مقال في مجلة | Elsevier | Journal of Molecular Structure

أكثر

Experimental and computational analysis of poly(4-vinyl pyridine) and polyvinylpyrrolidone as effective corrosion inhibitors for low carbon steel in sulfuric acid

2024

مقال في مجلة | TAYLOR & FRANCIS INC | JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY

أكثر

Exploring cinnamon extract’s potential as a green corrosion inhibitor for X65 carbon steel in sulfuric acid: a comprehensive investigation

2024

مقال في مجلة | TAYLOR & FRANCIS INC | JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY

أكثر

Study on Regio- and Diastereoselectivity of the 1,3-Dipolar Cycloaddition Reaction of Azomethine Ylide with 2‑(Benzo[d]thiazol-2-yl)-3-(aryl)acrylonitrile: Synthesis, Spectroscopic, and Computational Approach

2024

مقال في مجلة | ACS | ACS Omega

أكثر

First Exclusive Stereo- and Regioselective Preparation of 5- Arylimino-1,3,4-Selenadiazole Derivatives: Synthesis, NMR analysis, and Computational Studies

2023

مقال في مجلة | WILEY | Chemistry – An Asian Journal

أكثر

Lower rim thiacalixarenes derivatives incorporating multiple coordinating carbonyl groups: Synthesis, characterization, ion-responsive ability and DFT computational analysis

2023

مقال في مجلة | Elsevier | Journal of Molecular Structure

Investigation of photophysical and electronic properties of aurone derivatives: Insights from spectroscopic techniques and density functional theory calculations

2023

مقال في مجلة | Elsevier | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Spectroscopic studies on a natural biomarker for the identification of origin and quality of tea extracts for the development of a portable and field deployable prototype

2023

مقال في مجلة | Elsevier | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones

2023

مقال في مجلة | MDPI | Pharmaceuticals

أكثر

Unexplored sigma-hole and & pi-hole interactions in (X 2 CY) 2 complexes (X = F, Cl; Y = O, S)

2022

مقال في مجلة | Elsevier | Journal of Molecular Structure

Tetracycline Encapsulated in Au Nanoparticle-Decorated ZnO Nanohybrids for Enhanced Antibacterial Activity

2022

مقال في مجلة | American Chemical Society | ACS Applied Nano Materials

Natural parsley oil as a green and safe inhibitor for corrosion of X80 carbon steel in 0.5 M H2SO4 solution: a chemical, electrochemical, DFT and MC simulation approach

2022

مقال في مجلة | RSC | RSC Advances

On the Potentiality of X-T-X3 Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors

2021

مقال في مجلة | American Chemical Society | ACS Omega

Enhancing the inhibition and adsorption performance of SABIC iron corrosion in sulfuric acid by expired vitamins. Experimental and computational approach

2021

مقال في مجلة | RSC | RSC Advances

Cospatial sigma-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with pi-Systems: A Quantum Mechanical Study

2021

مقال في مجلة | American Chemical Society | ACS Omega

Comparative study on quantum descriptors, molecular docking and dynamic simulation of antiviral drugs with Covid-19

2021

مقال في مجلة | Elsevier | Egyptian Journal of Petroleum

External electric field effects on the sigma-hole and lone-pair hole interactions of group V elements: a comparative investigation†

2021

مقال في مجلة | RSC | RSC Advances

Natural nutmeg oil as a green corrosion inhibitor for carbon steel in 1.0M HCl solution: Chemical, electrochemical, and computational methods

2020

مقال في مجلة | Elsevier | Journal of Molecular Liquids

±π-Hole Interactions: A Comparative Investigation Based on Boron-Containing Molecules

2020

مقال في مجلة | WILEY | ChemistrySelect

Wide bandgap semiconductor-based novel nanohybrid for potential antibacterial activity: ultrafast spectroscopy and computational studies

2020

مقال في مجلة | RSC | RSC Advances

Sildenafil drug as a safe anticorrosion for 6063 aluminum alloy in acidic and alkaline solutions: Theoretical and experimental studies

2020

مقال في مجلة | Elsevier | Egyptian Journal of Petroleum

Experimental and theoretical study on triazole derivatives as chelating agents to remove Fe++ Ions from wastewater in oil field

2020

مقال في مجلة | WILEY | Journal of Heterocyclic Chemistry

Deliberate-Characterization for Ni(II)-Schiff Base Complexes: Promising In-Vitro Anticancer Feature that Matched MOE Docking-Approach

2020

مقال في مجلة | Springer | Journal of Inorganic and Organometallic Polymers and Materials

Synthesis of novel VO (II)-thaizole complexes; spectral, conformational characterization, MOE-docking and genotoxicity

2019

مقال في مجلة | WILEY | Applied Organometallic Chemistry

Docking Approach to Predict Inhibition Activity of New Pt(II) Complexes Against Kinase Protein and Human DNA: Full Characterization, HF‑FC Modeling and Genotoxicity

2019

مقال في مجلة | Springer | Journal of Inorganic and Organometallic Polymers and Materials

Synthesis and characterization for novel Cu(II)-thiazole complexesdyes and their usage in dyeing cotton to be special bandage for cancerous wounds

2019

مقال في مجلة | Elsevier | Journal of Molecular Structure

Electrochemical and theoretical investigation for some pyrazolone derivatives as inhibitors for the corrosion of C-steel in 0.5 M hydrochloric acid

2019

مقال في مجلة | Elsevier | Journal of Molecular Liquids

Performance of tramadol drug as a safe inhibitor for aluminum corrosion in 1.0 M HCl solution and understanding mechanism of inhibition using DFT

2019

مقال في مجلة | Elsevier | Egyptian Journal of Petroleum

Synthesis of new Cu(II)-benzohydrazide nanometer complexes, spectral, modeling, CT-DNA binding with potential anti-inflammatory and antiallergic theoretical features

2018

مقال في مجلة | Elsevier | Materials Science & Engineering C

Green synthesis approach for novel benzenesulfonamide nanometer complexes with elaborated spectral, theoretical and biological treatments

2018

مقال في مجلة | ًWiley | ِApplied Organometallic Chemistry

Experimental and Theoretical Investigation by DFT on the Some Azole Antifungal Drugs as Green Corrosion Inhibitors for Aluminum in 1.0M HCl

2018

مقال في مجلة | ٍSpringer | Protection of Metals and Physical Chemistry of Surfaces

Elaborated spectral, modeling, QSAR, docking, thermal, antimicrobial and anticancer activity studies for new nanosized metal ion complexes derived from sulfamerazine azodye

2017

مقال في مجلة | ٍSpringer | Journal of Thermal Analysis and Calorimetry

Synthesis of Co(II), Cu(II), Hg(II), UO2(II) and Pb(II) binuclear nanometric complexes from multi‐donor ligand: Spectral, modeling, quantitative structure–activity relationship, docking and antitumor studies

2017

مقال في مجلة | WILEY | Applied Organometallic Chemistry

Spectral characterization, CT-DNA binding, DFT/B3LYP, molecular docking and antitumor studies for new nano-sized VO(II)-hydrazonoyl complexes

2017

مقال في مجلة | Elsevier | Journal of Molecular Liquids

Simulative aurintricarboxylic acid molecular docking with antitumor activity for its VO(II), Cr(III), Mn(II) and Fe(III) complexes, HF/DFT modeling and elaborated EPR studies

2017

مقال في مجلة | Springer | Journal of Thermal Analysis and Calorimetry

Experimental and theoretical approach studies for melatonin drug as safely corrosion inhibitors for carbon steel using DFT

2016

مقال في مجلة | Elsevier | Journal of Molecular Liquids

أكثر

QSPR study on nematic transition temperatures of thermotropic liquid crystals based on DFT-calculated descriptors

2014

مقال في مجلة | Taylor & Francis | Liquid Crystals

Structural descriptors for the correlation of human blood:air partition coefficient of volatile organic molecules by QSPRs

2013

مقال في مجلة | Springer | Structural Chemistry

The use of quantum-chemical descriptors for predicting the photoinduced toxicity of PAHs

2012

مقال في مجلة | Springer | Journal of Molecular Modeling

Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors

2009

مقال في مجلة | Croatian Chemical Society | Croatica Chemica Acta

QSAR using momentum-space and trivial feature count descriptors – An application to Tetrahymena pyriformis toxicity

2009

مقال في مجلة | Elsevier | Journal of Molecular Structure: THEOCHEM

Investigating the utility of momentum-space descriptors for predicting blood–brain barrier penetration

2007

مقال في مجلة | Elsevier | Journal of Molecular Graphics and Modelling

The quantitative use of momentum-space descriptors

2005

مقال في مجلة | Elsevier | Chemical Physics Letters

The use of momentum-space descriptors for predicting octanol–water partition coefficients

2005

مقال في مجلة | Elsevier | Journal of Molecular Structure: THEOCHEM

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