Khaled E El-Kelany

9PUBLICATIONS
11CO-AUTHORS
Photonics, optoelectronics and optical communicationsMedical virologyStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterCondensed matter modelling and density functional theoryMain group metal chemistry
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Publications (9)

|Apr 16, 2026
Structural, Electronic, and Magnetic Properties of KCrF3: A Quantum-Mechanical Investigation.

|Feb 24, 2026
Molecular determinants of K36 binding in SARS-CoV-2 main protease revealed by MD simulations and alanine mutagenesis.

Mohamed L AbouYoussef, Khaled E El-Kelany, Sara A Abdel Gaber

|Feb 04, 2025
The Structural, Electronic and Vibrational Properties of LaCrO . A Quantum Mechanical Investigation by Using an All Electron Gaussian Type Basis Set and a Full Range Hybrid Functional.

Khaled E El-Kelany, Alexander Platonenko, Klaus Doll

|Oct 04, 2024
The role of the exact Hartree-Fock exchange in the investigation of defects in crystalline systems.

Alexander Platonenko, Francesco Gentile, Khaled E El-Kelany

|Apr 26, 2023
The role of the A monovalent cation in the AVF3 perovskite series. A quantum mechanical investigation.

Fabien Pascale, Neveen I Atallah, Khaled E El-Kelany

|Dec 27, 2022
Geometrical Stability and Nonlinear Optical Properties of Crystallogen and Pnictogen Fullerene Analogues.

Mohamed L AbouYoussef, Maged El-Kemary, Roberto Dovesi

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Frequent Collaborators

5 joint publications

Alexander Platonenko

3 joint publications

Roberto Dovesi

3 joint publications

Anna Maria Ferrari

2 joint publications

Francesco S Gentile