23 Jun 2025Open access2cites
K36-based inhibitor analogs as potential therapeutics against SARS-CoV-2 main protease (Mpro): a computational investigationPublisher siteScientific Reports, Computational Drug Discovery Methods
UniversitiesKhaled E. El‐Kelany
Active, last published 2026
Khaled E.
El‐Kelany
Scholar“Research profile drawn from open scholarly records.”
Kafrelsheikh University
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01 · About the work
What I study
research summary for Khaled E. El‐Kelany will appear here once their profile is updated.
02 · Reach
Publication output and reach
Khaled's work has been cited 192 times across 7 active years. Bars show publications per year; the line shows cumulative citation totals across publications first appearing in each year.
04 · Where I am
Affiliations
Affiliation on published researchKafrelsheikh UniversityDrawn from the institution listed on this researcher’s published work.
Research themes (UN SDGs)
05 · Selected work
Recent publications
30 works5 May 2025
The Influence of the A Monovalent Cation on Structural and Vibrational Properties of AVF <sub>3</sub> Perovskites: A DFT Computational StudyPublisher siteJournal of Raman Spectroscopy, Heusler alloys: electronic and magnetic properties
4 Feb 2025
The Structural, Electronic and Vibrational Properties of <scp>LaCrO</scp>3$$ {}_3 $$. A Quantum Mechanical Investigation by Using an <i>All Electron</i> Gaussian Type Basis Set and a Full Range Hybrid FunctionalPublisher siteJournal of Computational Chemistry, Inorganic Fluorides and Related Compounds
5 Jan 20253cites
The charge and spin density of five LaBO3 perovskites (B=Sc, Ti, V, Cr and Co). A Mulliken analysisPublisher siteChemical Physics, Magnetic and transport properties of perovskites and related materials
1 Jan 2025Open access
Comparison of the structural and electronic properties of two cobalt perovskites, in which Co is formally d6 (LaCoO3), and d7 (KCoF3)Publisher siteJournal of Current Multidisciplinary Research, Inorganic Chemistry and Materials
16 Apr 202411cites
Synthesis, crystallographic structure, Hirshfeld surface analysis and DFT calculations of Schiff base (Z)-4-methyl-2-(((3-nitrophenyl)imino)methyl)phenolPublisher siteJournal of Molecular Structure, Crystal structures of chemical compounds
1 Jan 20242cites
The role of the exact Hartree–Fock exchange in the investigation of defects in crystalline systemsPublisher sitePhysical Chemistry Chemical Physics, X-ray Diffraction in Crystallography
7 Dec 2023
Convergence of alkaline earth and transition metal oxide nanotube properties toward the 2D slab limit, computational investigation for energy conversion implicationsPublisher siteMaterials Today Communications, MXene and MAX Phase Materials
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