J. Al-Fahemi

发表

QSPR Models for Octane Number Prediction

J. Al-Fahemi, Nahla A. Albis, E. Gad, 2014 .

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

D. L. Cooper, J. Al-Fahemi, N. Allan, 2005 .

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

Ahmed M. Shawky, J. Al-Fahemi, Saleh A. Ahmed, 2020 .

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

Neil L Allan, D. L. Cooper, David L Cooper, 2007, Journal of molecular graphics & modelling.

Unexplored σ-Hole and π-Hole Interactions in (X2CY)2 Complexes (X = F, Cl; Y = O, S)

J. Al-Fahemi, Mahmoud A. A. Ibrahim, Nayra A. M. Moussa, 2022, Journal of Molecular Structure.

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

J. Al-Fahemi, 2014 .

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

J. Al-Fahemi, M. Abdallah, A. M. E. Defrawy, 2019, Journal of Molecular Liquids.

Kinetics and Mechanism of Permanganate Oxidation of Inositol in Perchloric and Sulfuric Acids Solutions

J. Al-Fahemi, A. Fawzy, I. Zaafarany, 2016 .

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

A. M. Khedr, N. El‐Metwaly, J. Al-Fahemi, 2019, Journal of Inorganic and Organometallic Polymers and Materials.

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

A. M. Khedr, N. El‐Metwaly, J. Al-Fahemi, 2020, Journal of Inorganic and Organometallic Polymers and Materials.

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

A. M. Khedr, A. Hossan, N. El‐Metwaly, 2019, Journal of Molecular Structure.

Palladium(II)-Catalyzed Oxidation of Pyrimidine Derivative by Hexacyanoferrate(III) in Aqueous Alkaline Medium: A Kinetic Study

J. Al-Fahemi, A. Fawzy, I. Zaafarany, 2016 .

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

J. Al-Fahemi, Mahmoud A. A. Ibrahim, S. El-Taher, 2021, ACS omega.

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

F. Saad, N. El‐Metwaly, J. Al-Fahemi, 2017 .

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

F. Saad, A. M. Khedr, N. El‐Metwaly, 2018, 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

F. Saad, N. El‐Metwaly, J. Al-Fahemi, 2017 .

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

Tahani M. Bawazeer, A. M. Khedr, N. El‐Metwaly, 2019, Applied Organometallic Chemistry.

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

J. Al-Fahemi, K. Soliman, S. Al-Juaid, 2021, RSC advances.

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

F. Saad, A. M. Khedr, N. El‐Metwaly, 2019, Materials science & engineering. C, Materials for biological applications.

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

F. Saad, N. El‐Metwaly, J. Al-Fahemi, 2017, Journal of Thermal Analysis and Calorimetry.

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

J. Al-Fahemi, Elshafie Ahmed Mahmoud Gad, Mohamed Elshafie Ahmed, 2021, Egyptian Journal of Petroleum.

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

J. Al-Fahemi, E. Gad, E. Azzam, 2020 .

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

J. Al-Fahemi, E. Gad, M. Abdallah, 2016 .

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

J. Al-Fahemi, K. Soliman, M. Abdallah, 2020 .

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

J. Al-Fahemi, M. I. Awad, W. M. Sayed, 2020 .

Synthesis of Coumarin‐Analogues: Analytical, Spectral, Conformational, MOE‐Docking and Antimicrobial Studies

N. El‐Metwaly, J. Al-Fahemi, T. Farghaly, 2020 .

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

J. Al-Fahemi, K. Soliman, S. Al-Juaid, 2022, RSC advances.

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

F. Saad, A. M. Khedr, N. El‐Metwaly, 2018, Applied Organometallic Chemistry.

Kinetics and Mechanism of Oxidation of Vanillin by Chromium(VI) in Sulfuric Acid Medium

J. Al-Fahemi, K. Khairou, I. Althagafi, 2016 .

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

J. Al-Fahemi, E. Gad, M. Abdallah, 2019, Egyptian Journal of Petroleum.

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

J. Al-Fahemi, E. Gad, M. Abdallah, 2018, Protection of Metals and Physical Chemistry of Surfaces.

A Comparative Kinetic Study of Silver(I)-Catalyzed Oxidations of Alanine and Valine by Platinum (IV) in Perchloric and Sulfuric Acids Solutions

J. Al-Fahemi, I. Althagafi, A. Fawzy, 2016 .

Acid catalyzed Oxidation: Kinetics of Oxidation of Methyl Cellulose Polysaccharide as A Natural Polymer by Chromic Acid in Aqueous Perchlorate Solutions with Novel Synthesis of Coordination Biopolymer Precursors

J. Al-Fahemi, K. Khairou, R. Hassan, 2015 .

Electrical Conductivity and Chemical Equilibria of Coordination Biopolymeric Cerium (IV)-Alginate Complex with Correlation between the Structure and Complex Stability

J. Al-Fahemi, K. Khairou, R. Hassan, 2015 .

The quantitative use of momentum-space descriptors

David L. Cooper, Neil L. Allan, D. L. Cooper, 2005 .

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

Ahmed M. Shawky, J. Al-Fahemi, Saleh A. Ahmed, 2021, RSC advances.

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

S. Pal, J. Al-Fahemi, Saleh A. Ahmed, 2022, ACS Applied Nano Materials.

Adsorpitivity and corrosion inhibtion performance of 2-(alkyloxy)-N,N,N-tris(2-hydroxyethyl)-2-oxoethanaminium chloride using DFT Approach

J. Al-Fahemi, E. Gad, 2015 .

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

Uttam Pal, S. Pal, Tahani M. Bawazeer, 2020, RSC advances.

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

A. Kamal, Shaikh Faazil, J. Al-Fahemi, 2023, Pharmaceuticals.

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

M. Soliman, J. Al-Fahemi, Mahmoud A. A. Ibrahim, 2021, ACS omega.

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

David L. Cooper, Neil L. Allan, D. L. Cooper, 2009 .

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

J. Al-Fahemi, Saleh A. Ahmed, Z. Moussa, 2023, Journal of Molecular Structure.

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

A. Chouaih, J. Al-Fahemi, Saleh A. Ahmed, 2023, 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.

Samir Kumar Pal, J. Al-Fahemi, Saleh A. Ahmed, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.