الابحاث : |
1-Morad M. El-Hendawy, Asmaa M. Kamel, Mahmoud M. A. Mohamed, The Anti-corrosive Behavior of Benzo-Fused N-Heterocycles: An In‑Silico Study Toward Developing Organic Corrosion Inhibitors, Phys. Chem. Chem, Phys., Royal Chemical Society , 24 , 743-756, 2022
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2-Manal A El Sayed, Morad M El-Hendawy, Magdy AM Ibrahim, Improving the Characteristics of Nickel Coatings Produced on Copper from Watts Bath in the Presence of Ascorbic Acid–Combined Experimental and Theoretical Study, Int. J. Electrochem. Sci., 17 , 22044, 2022
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3-Sandra N Milik, Amal Kamal Abdel-Aziz, Morad M El-Hendawy, Riham I El-Gogary, Mona Kamal Saadeldin, Saverio Minucci, Christian D Klein, Khaled AM Abouzid, Insights into the design of inhibitors of the EGFR family with anticancer activity overcoming resistance: A case of optimizing thieno [2, 3-d] pyrimidine-based EGFR inhibitors, J. Mol. Str, 1259 , 132724, 2022
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4-Mohammed A. Amin, Gaber A.M. Mersal, Morad M. El-Hendawy, Abdallah
A. Shaltout, Ali Badawi, Johan Boman, Adil A. Gobouri, Murat Saracoglu, Fatma Kandemirli, Rabah Boukherroub, Jacek Ryl, Mohamed E. Khalifa, Synthesis of cyano-benzylidene xanthene synthons using diprotic Brönsted acid catalyst and their application as efficient inhibitors of aluminum corrosion in alkaline solutions, molecules, 27(17) , 5733, 2022
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5-Morad M. El-Hendawy, * Ibtesam M. Desoky and Mahmoud M. A. Mohamed, A DFT-design of single component bifunctional organocatalysts for the carbon dioxide/propylene oxide coupling reaction, PCCP, December, 2021
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6-
Morad M. El-Hendawy, * Asmaa M. Kamel and Mahmoud M. A. Mohamed, The anti-corrosive behavior of benzo-fused N-heterocycles: an in silico study toward developing organic corrosion inhibitors, PCCP, December, 2021
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7-Morad M.El-Hendawy, Abd El-Motaleb M.Ramadan, Mohamed M.Ibrahim, Mechanistic insights on the catalytic hydrogenation of cyclohexene by ruthenium(III) N2O2 tetradentate Schiff-base complex, International journal of hydrogen energy, https://www.sciencedirect.com/science/article/pii/S0360319921038283, November, 2021
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8-Morad M. El-Hendawy 1,* , Asmaa M. Kamel 1, Mahmoud M. A. Mohamed 1, Rabah Boukherroub 2 ,
Jacek Ryl 3,* and Mohammed A. Amin, Diaryl Sulfide Derivatives as Potential Iron Corrosion
Inhibitors: A Computational Study, Molecules, 2021
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9-Ashraf A. El‑Shehawy1 · Morad M. El‑Hendawy2 · Adel M. Attia1 · Abdul‑Rahman I. A. Abdallah1 · Nabiha I. Abdo3, Synthesis, photophysical properties, and computational studies
of benzothiadiazole and/or phenothiazine based donor/acceptor
π‑conjugated copolymers, Journal of Polymer Research, 2021
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10-Ashraf A El-Shehawy1 , Adel M Attia1,
Abdul-Rahman IA Abdallah1 and Morad M El-Hendawy, Synthesis, characterization, photophysical
properties, and computational studies on
N-hexylphenothiazine/cyanopyridine based
p-conjugated copolymers, High Performance Polymers, 2021
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11-
Ashraf A. El-Shehawy1 | Mohamed E. Abdu2 | Morad M. El-Hendawy3 |
Mohamed El-Khouly1 | Mohamed H. Sherif2 | Hamed Y. Moustafa2, Synthesis, photophysical, and theoretical studies on
π-conjugated copolymers based on benzothiadiazole and
cyanopyridine acceptor moieties along with other π-bridge
units, J Phys Org Chem., 2021
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12-Gaber A. M. Mersal1 | Mahmoud M. Hessien1 | Rema Al Jouaid1 |
Morad M. El-Hendawy2 | Fahad M. Alminderej3 | Mohamed M. Ibrahim1, A molecular biomimetic sensor of tris
(2-benzimidazolylmethyl)amine-based iron(III) complex for
acrylamide detection: Electrochemical study and DFT
calculations, J Chin Chem Soc., 2021
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13-Mohamed M. Ibrahim,[a] Dalia I. Saleh,[a] Morad M. El-Hendawy,[b] Ahmed M. Fallatah,[a]
G. A. M. Mersal,[a] Rabah Boukherroub,*[c] Joanna Wysocka,[d] Jacek Ryl,*[e] and
Mohammed A. Amin, Efficacious Alkaline Copper Corrosion Inhibition by a Mixed
Ligand Copper(II) Complex of 2,2’-Bipyridine and Glycine:
Electrochemical and Theoretical Studies
, ChemElectroChem, 2021
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14-Hanaa Mansour, Morad M. El-Hendawy, Mechanistic perspectives on piperidine-catalyzed synthesis of 1,5-benzodiazepin-2-ones, Molecular Catalysis, 484, 110774, 2020
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15-Abd El-Motaleb M. Ramadan1 | Shaban Y. Shaban1 | Mohammed M. Ibrahim1,2 |
Morad M. El-Hendawy3 | Hatem Eissa1 | Sami A. Al-Harbi, Copper(II) complexes containing pyridine-based and phenolatebased systems: Synthesis, characterization, DFT study, biomimetic catalytic activity of catechol oxidase and phenoxazinone synthase, Journal of Chinese Chemical Society , 1-17, 2019
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16-Mohamed Shaker, Morad M. El-Hendawy, Byoungwook Park and
Kwanghee Lee, A newly designed isoindigo/thiophene mediumsized molecule containing a p (D–A–D) bridge with unexpected organic photovoltaic performance, New Journal of Chemistry
, 43, 18126, 2019
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17-Mohamed E. El-Khouly, Ahmed El-Refaey, Shaban Y. Shaban and Morad M. El-Hendawy, Intramolecular electron transfer of light harvesting perylene–pyrene supramolecular conjugate, Photochemical & Photobiological Sciences, 2018
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18-Ahmed M. El-Nahas, Ahmed Gamea, Morad M. El-Hendawy, and Kazunari Yoshizawa, Electrical Conductivity of Dithiophene-Based Diblock Molecular Junctions, Computational & Theoretical Chemistry , November, 2017
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19-AHMED M EL-NAHAS1, RAMY E FARAG1, MORAD M EL-HENDAWY,
SAFINAZ H EL-DEMERDASH and SHABAN Y SHABAN, Effect of Inserting Azabenzenes Linkers into TPABased
Dye Sensitizers for Use in Solar Cells: DFT and
TDDFT Calculations, Chemical Science Transactions, WWW PUBLICATIONS (P)- INDIA, 5(2), 399-409., http://www.e-journals.iNullbstract3.asp?Totarticle=1191, January, 2016
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20-Ahmed M. El-Nahas, El-Sayed R. Khattb, Morad M. El-Hendawy, Ahmed H. Magood, A NEGF-DFT Study on Tuning Electrical Conductivity of Benzene-1, 4-dithiol, Chemical Science Transactions , 5(2) , 413-425, January, 2016
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21-Morad M. El-Hendawy, Tarek A. Fayed, Mohamed K. Awad, Niall J. English, Safaa El-Din H. Etaiw, Ahmed B. Zaki, Photophysics, photochemistry and thermal stability of diarylethene-containing benzothiazolium species, Journal of Photochemistry and Photobiology A: Chemistry , 301, 21-30, 2015
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22-Shaban Y. Shaban, Maged El-Kemary, Mohamed Mabrook, Morad M. El-Hendawy, Hanaa Mansour, Hosni El-Baradie, Binuclear Copper (II) Complexes Containing pyN4O moiety as a Model for Catechol oxidase; Synthesis, Characterization and Catechol Oxidase Activity, International Journal of Advanced Research , 3, 480-488, journalijar.com/uploads/500_IJAR-4818.pdf, 2015
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23-Mohamed E El-Khouly, Cem Göl, Morad M. El-Hendawy, Sekan Yeşilot, Mahmut Durmuş , Energy-transfer studies on phthalocyanine–BODIPY light harvesting pentad by laser flash photolysis, Journal of Porphyrins and Phthalocyanines, Journal of Porphyrins and Phthalocyanines , 19, 261-269, http://www.worldscientific.com/doi/abs/10.1142/S1088424614501168, 2015
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24-Niall J. English, Morad M. El-Hendawy, Damian A. Mooney, J.M.D. MacElroy, Perspectives on Atmospheric CO2 Fixation in Inorganic and Biomimetic Structures, Coordination Chemistry Reviews , 269, 85-95, http://www.sciencedirect.com/science/article/pii/S0010854514000654, 2014
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25-Morad M. El-Hendawy, Niall J. English, Ahmed M. El-Nahas , Chapter Book: Strategies for Design of New Organic Molecular Rectifiers: Chemical and Molecular-Simulation Perspectives, In D. Bove (Ed.) Computational Chemistry: Theories, Methods and Applications, New York, NY: Nova Science Publisher. , 143-166, https://www.novapublishers.com/catalog/product_info.php?products_id=50977&osCsid=d84ee1a1d6559ebde98039b03f09d1f1, 2014
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26-Mmakwena M. Mmonwa, Malose J. Mphahlele, Morad M. El-Hendawy, Ahmed M El-Nahas , Synthesis and photophysical properties of the 2-(3-(2-alkyl-6,8-diaryl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)propyl)-6,8-diarylquinazolin-4(3H)-ones
, Molecules, 19 , 9712-9735, http://www.mdpi.com/1420-3049/19/7/9712, 2014
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27-Ahmed A. Abo-Alhasan, Samy A. El-Daly, Morad M. El-Hendawy, Shahar H. El-Khalfy and El-Zeiny M. Ebeid, Rapid Induced Aggregation of Gold Nanoparticles by Diolefinic Dyes, Journal of Nanomaterials, Molecular Nanotechnology , 3(2), 1-7, 2014
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28-Malose J. Mphahlele, Hugues K. Paumo, Morad M. El-Hendawy, Ahmed M. El-Nahas, Synthesis and photophysical property studies of the 2,6,8-triaryl-4-(phenylethynyl)quinazolines, Molecules, 19, 795-818, http://www.mdpi.com/1420-3049/19/1/795, 2014
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29-Morad M. El-Hendawy, Niall J. English, Damian A. Mooney, Effect of space linkers in dinuclear copper cryptates on the efficiency of atmospheric CO2 uptake: a DFT study, Catalysis Science & Technology, 3, 2234-2243., http://pubs.rsc.org/en/Content/ArticleLanding/2013/CY/c3cy20608d#!divAbstract, 2013
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30-Morad M. El-Hendawy, Niall J. English, Damian A. Mooney, Comparative studies for evaluation of CO2 fixation the cavity of the Rubisco enzyme using QM, QM/MM and linear-scaling DFT methods, Journal of Molecular Modeling, 19, 2329-2334, 2013
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31-Mohamed K. Awad, Morad M. El-Hendawy, Tarek A. Fayed, Safaa El-Din H. Etaiw, Niall J. English, Aromatic Ring Size Effect on the Photophysics and Photochemistry of Styrylbenzothiazoles, Photochemical & Photobiological Sciences, 12, 1220-1231, http://pubs.rsc.org/en/Content/ArticleLanding/2013/PP/c3pp25367h#!divAbstract, 2013
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32-Morad M. El-Hendawy, José-Antonio Garate, Stephen O’Reilly and Niall J. English, Diffusion of Carbon Dioxide and Oxygen in the Active Site Vicinity of Rubisco: a Molecular Dynamics Study , Journal of Chemical Physics, 137, 145103-145113, http://scitation.aip.org/content/aip/journal/jcp/137/14/10.1063/1.4757021, 2012
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33-Morad M. El-Hendawy, Niall J. English, Damian A. Mooney, Mechanism of Atmospheric CO2 Fixation in the Cavity of a Dinuclear Cryptate, Inorganic Chemistry, ACS, 51 (9), 5282–5288, http://pubs.acs.org/doi/abs/10.1021/ic300224w, 2012
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34-Morad M. El-Hendawy, A. M. El-Nahas, M. K. Awad, Modification of the Electric Properties of Molecular Devices via Gradual Increment of Number of Nitrogen Atoms, Organic Electronics, 13, 807-814, http://www.sciencedirect.com/science/article/pii/S156611991200033X, 2012
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35-Morad M. El-Hendawy, Ahmed M. El-Nahas, and Mohamed K. Awad, The Effect of Constitutional and Conformational Isomerization on the Electrical Properties of Diblock Molecular Diode, Organic Electronics , 12, 1080-1092, http://www.sciencedirect.com/science/article/pii/S1566119911001017, 2011
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36-Morad M. El-Hendawy, Niall J. English, Damian A. Mooney, A Theoretical Thermodynamic Investigation of Cascade Reactions in Dinuclear Octa-Azacryptates Involving Carbon Dioxide, Journal of Molecular Modeling, 17 (2011) , 17, 3151-3162, http://link.springer.com/article/10.1007%2Fs00894-011-0965-z, 2011
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37-Tarek A. Fayed, Mohamed K. Awad, Safaa El-Din H. Etaiw, Morad M. El-Hendawy, Molecular Aggregation and Z/E Isomerization of 9-Phenanthryl-2-(N-methylbenzothiazolium)ethene iodide dye, Journal of Photochemistry and Photobiology A: Chemistry, 222, 276– 282, http://www.sciencedirect.com/science/article/pii/S1010603011002553, 2011
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38-Morad M. El-Hendawy, Ahmed M. El-Nahas, and Mohamed K. Awad, Effect of Applied Voltage on the Geometrical and Electronic Structures of Dipyrimidinyl-diphenyl Diblock as a Molecular Diode: A DFT Study , Journal of Physical Chemistry C , ACS, 111, 21728-21735, http://pubs.acs.org/doi/abs/10.1021/jp107014g, 2010
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39-Safaa El-Din H. Etaiw, Mohamed K. Awad, Tarek A. Fayed, Morad M. El-Hendawy, Effect of N-methylation on Both Ground and Excited States Properties of 1-(9-anthryl)-2-(2-benzothiazolyl)ethene, Journal of Molecular Structure, 919, 12-20, http://www.sciencedirect.com/science/article/pii/S0022286008005425, 2009
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