| DFT simulation and vibrational analysis of the IR and Raman spectra of a CdSe quantum dot capped by methylamine and trimethylphosphine oxide ligands AM Abuelela, TA Mohamed, OV Prezhdo The Journal of Physical Chemistry C 116 (27), 14674-14681, 2012 | 63 | 2012 |
| Molecular structure aspects and molecular reactivity of some triazole derivatives for corrosion inhibition of aluminum in 1 M HCl solution MA Mostafa, AM Ashmawy, MAMA Reheim, MA Bedair, AM Abuelela Journal of Molecular Structure 1236, 130292, 2021 | 54 | 2021 |
| Molecular structure and mild steel/HCl corrosion inhibition of 4, 5-Dicyanoimidazole: Vibrational, electrochemical and quantum mechanical calculations AM Abuelela, MA Bedair, WM Zoghaib, LD Wilson, TA Mohamed Journal of Molecular Structure 1230, 129647, 2021 | 52 | 2021 |
| Direct sunlight-active Na-doped ZnO photocatalyst for the mineralization of organic pollutants at different pH mediums MH Elsayed, TM Elmorsi, AM Abuelela, AE Hassan, AZ Alhakemy, ... Journal of the Taiwan Institute of Chemical Engineers 115, 187-197, 2020 | 37 | 2020 |
| Reinvestigation of benzothiazoline-2-thione and 2-mercaptobenzothiazole tautomers: Conformational stability, barriers to internal rotation and DFT calculations TA Mohamed, AM Mustafa, WM Zoghaib, MS Afifi, RS Farag, Y Badr Journal of Molecular Structure: THEOCHEM 868 (1-3), 27-36, 2008 | 37 | 2008 |
| Molecular structure, tautomer's, reactivity and inhibition studies on 6-Methyl-2-thiouracil for mild steel corrosion in aqueous HCl (1.00 M): Experimental and Theoretical Studies MA Bedair, AM Abuelela, WM Zoghaib, TA Mohamed Journal of Molecular Structure 1244, 130927, 2021 | 32 | 2021 |
| Effective corrosion inhibition of mild steel in hydrochloric acid by newly synthesized Schiff base nano Co (II) and Cr (III) complexes: spectral, thermal, electrochemical and … S Melhi, MA Bedair, EH Alosaimi, AAO Younes, WH El-Shwiniy, ... RSC advances 12 (50), 32488-32507, 2022 | 19 | 2022 |
| Infrared, Raman and temperature-dependent NMR spectra, vibrational assignments, normal coordinate analysis, and DFT calculations of benzoxazoline-2-thione TA Mohamed, AM Mustafa, WM Zoghaib, MS Afifi, RS Farag, Y Badr Vibrational Spectroscopy 52 (2), 128-136, 2010 | 18 | 2010 |
| A density functional theory study of structural, electronic and magnetic properties of small PdnAg (n= 1–8) clusters F Al-Odail, J Mazher, AM Abuelela Computational and Theoretical Chemistry 1125, 103-111, 2018 | 17 | 2018 |
| Insight into the corrosion mitigation performance of three novel benzimidazole derivatives of amino acids for carbon steel (X56) in 1 M HCl solution QA Yousif, Z Fadel, AM Abuelela, EH Alosaimi, S Melhi, MA Bedair RSC advances 13 (19), 13094-13119, 2023 | 16 | 2023 |
| Infrared, Raman and NMR spectral analysis, vibrational assignments, normal coordinate analysis, and quantum mechanical calculations of 2-Amino-5-ethyl-1, 3, 4-thiadiazole IA Shaaban, AE Hassan, AM Abuelela, WM Zoghaieb, TA Mohamed Journal of Molecular Structure 1103, 70-81, 2016 | 16 | 2016 |
| Ethyl ester/acyl hydrazide-based aromatic sulfonamides: facile synthesis, structural characterization, electrochemical measurements and theoretical studies as effective … MA Bedair, AM Abuelela, M Alshareef, M Owda, EM Eliwa RSC advances 13 (1), 186-211, 2023 | 15 | 2023 |
| Ab initio study of the vibrational signatures for the covalent functionalization of graphene AM Abuelela, RS Farag, TA Mohamed, OV Prezhdo The Journal of Physical Chemistry C 117 (38), 19489-19498, 2013 | 15 | 2013 |
| Thiadiazole-2-thiol-5-thione and 2, 5-dimercapto-1, 3, 4-thiadiazol tautomerism, conformational stability, vibrational assignments, inhibitor efficiency and quantum chemical … MH Esmaiel, HA Basuony, MK Al-Nawasany, MM Shulkamy, IA Shaaban, ... Zeitschrift für Physikalische Chemie 234 (3), 415-440, 2020 | 10 | 2020 |
| Conformational stability, spectral analysis (infrared, Raman and NMR) and DFT calculations of 2-Amino-5-(ethylthio)-1, 3, 4-thiadiazole TA Mohamed, AE Hassan, IA Shaaban, AM Abuelela, WM Zoghaib Journal of Molecular Structure 1130, 434-441, 2017 | 10 | 2017 |
| Raman and infrared spectra, normal coordinate analysis and ab initio calculations of 4-Amino-2-chloropyrimidine-5-carbonitrile WMZ Ahmed M Abuelela, Tarek A Mohamed, Lee D Wilson Journal of Molecular Structure 1115, 85-93, 2016 | 9 | 2016 |
| Synthesis, characterization, computational studies and biological activities of Co (II), Ni (II) and Cu (II) complexes of 2-Amino-1, 3, 4-thiadiazole derivatives AE Hassan, IA Shaaban, AM Abuelela, WM Zoghaib, TA Mohamed Journal of Coordination Chemistry 71 (16-18), 2814-2830, 2018 | 5 | 2018 |
| DFT study of the infrared and Raman spectra of photochromic Fulgide; 3-Dicyclopropylmethylene-4-E-[1-(2, 5-dimethyl-3-furyl) ethylidene]-5-(4 … AM Abuelela, FA Alodail, SS Al-Shihry, OV Prezhdo Structural Chemistry 29, 1085-1094, 2018 | 5 | 2018 |
| Synthetic routes and vibrational analysis of 5-(4-Chlorophenyl)-3H-pyrazol-3-one molecule: Raman, Infrared and DFT calculations AM Abuelela, UA Soliman, GAM El-hagali, WM Zoghaib, TA Mohamed Journal of Molecular Structure 1245, 131036, 2021 | 3 | 2021 |
| Raman and infrared spectra, crystal structure and DFT calculations of novel N-benzyl-4-(3-benzylcarbamoyl-propyldisulfanyl)-butyramide:[C6H5CH2NHC (O)(CH2) 4S] 2 KJ Ja’afar, TA Mohamed, UA Soliman, LD Wilson, AM Abuelela Research on Chemical Intermediates, 1-24, 2015 | 3 | 2015 |
Tarek A. MohamedProfessor of Chemistry, Faculty of Science, Al Azhar University, Nasr City, cairo, EgyptVerified email at azhar.edu.eg
