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| Issue Date | Title | Author(s) |
| 8-Feb-2018 | DFT and TD-DFT calculations of metallotetraphenylporphyrin and metallotetraphenylporphyrin fullerene complexes as potential dye sensitizers for solar cells | a.m.el mahdy ; abdel halim, shimaa |
| 1-Aug-2018 | DFT Calculations, Spectroscopic Studies, Biological Activity and Non Linear Optical Properties (NLO) of Novel Ternary Cu(II)-Chelates Derived from 5-Acetyl-4-hydroxy-2H-1,3-thiazinedione | abdel halim, shimaa ; Adly, omima |
| 2018 | Effective corrosion inhibition of mild steel in acidic medium using inexpensive kermes natural dye: experimental and quantum chemical study | Nobl F. El Boraei ; Magdy A. M. Ibrahim ; abdel halim, shimaa |
| 2011 | Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives | Moustafa H. ; Shibl, MF; Hilal, R; Laila I. Ali ; abdel halim, shimaa |
| Dec-2020 | Facile synthesis and photodetection characteristics of novel nanostructured triazinyliminomethylpyrano[3,2-c]quinoline-based hybrid heterojunction | Farag, A.A.M, ; Roushdy, N.,; Badran, A.-S. ; Ibrahim, Magdy ; abdel halim, shimaa |
| 2017 | New nano-complexes of Zn(II), Cu(II), Ni(II) and Co(II) ions; spectroscopy, thermal, structural analysis, DFT calculations and antimicrobial activity application | El-Shafiy, HF; Saif, M; Mashaly, MM; abdel halim, shimaa ; Eid, MF; Nabeel, AI; Fouad, Rania |
| 1-Oct-2021 | Novel SnZr oxides nanomaterials synthesized by ultrasonic-assisted co-precipitation method: Application in biodiesel production and DFT study | Ibrahim, Shaimaa M.; abdel halim, shimaa |
| 2018 | Spectroscopic and TD-DFT investigations of 4-[(2-amino-6-methylchromon-3-yl) methylidene]amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, and its application for photovoltaic devices | Nasser M. El-Gohary; Magdy A. Ibrahim ; Roushdy, N.,; Yassin Gabr; A.A.A Farag; S.Said; abdel halim, shimaa |
| Sep-2019 | Synthesis, Density Functional Theory Band Structure Calculations, Optical, and Photoelectrical Characterizations of the Novel (9-Bromo-3-cyano-5-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridin-2-ylidene)propanedinitrile | Ibrahim, Magdy ; abdel halim, shimaa |
| 2017 | Synthesis, DFT band structure calculations, optical and photoelectrical characterizations of the novel 5-hydroxy-4-methoxy-7-oxo-7H-furo[3,2-g]chromene-6-carbonitrile (HMOFCC) | Magdy A. Ibrahim ; Nasser M. El-Gohary; Roushdy, N.; A.A.A. Farag; abdel halim, shimaa |
| 2018 | Synthesis, DFT calculations, spectroscopic and photovoltaic of the novel N″, N‴-bis[(4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromen-6-yl)methylidene] thiocarbonohydrazide (BFCMT) and its photodiode application | Magdy A. Ibrahim ; Farag, AAM; abdel halim, shimaa ; Roushdy, N; El-Gohary, NM |
| Sep-2021 | Synthesis, DFT computational insights on structural, optical, photoelectrical characterizations and spectroscopic parameters of the novel (2 E )-3-(4-methoxy-5-oxo-5 H -furo[3, 2- g ]chromen-6-yl)acrylonitrile(MOFCA) | Magdy A. Ibrahim ; abdel halim, shimaa |
| Feb-2019 | Synthesis, DFT studies and photovoltaic characteristics of 2-amino-N-cyclohexyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide (ACCP) | Magdy A. Ibrahim ; Farag, A.A.M.; Roushdy, N.; Nasser M. El-Gohary; abdel halim, shimaa |
| 2018 | Synthesis, DFT study and photoelectrical characterizations of the novel 4-methoxyfuro[3′,2′:6,7]chromeno[2,3-e]benzo[b][1,4]diazepin-5(12H)-one | Magdy A. Ibrahim ; Nasser M. El-Gohary; Farag, A.A.M; N. Roushdy; abdel halim, shimaa |
| Jan-2018 | Synthesis, molecular, electronic structure, linear and non-linear optical and phototransient properties of 8-methyl-1,2-dihydro-4H-chromeno[2,3-b]quinoline-4,6(3H)-dione (MDCQD): Experimental and DFT investigations | Magdy A. Ibrahim ; Nasser M. El-Gohary; N. Roushdy; S.Said; Farag, A.A.M, ; abdel halim, shimaa |
| Feb-2019 | Synthesis, spectral characterization, DFT and photosensitivity studies of 1-[(4-methoxy-5-oxo-5H-furo [3,2-g]chromen-6-yl)methylidene]amino-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (MFCMP) | Magdy A. Ibrahim ; Nasser M. El-Gohary; Roushdy, N.; A.A.A. Farag; abdel halim, shimaa |
| 2018 | TD-DFT calculations, electronic structure, natural bond orbital analysis, nonlinear optical properties electronic absorption spectra and antimicrobial activity application of new bis-spiropipridinon/pyrazole derivatives | abdel halim, shimaa |
| 5-Nov-2017 | TD-DFT calculations, NBO analysis and electronic absorption spectra of some thiazolo[3,2-a]pyridine derivatives | abdel halim, shimaa ; Ali Khalil Ali |
| 2019 | TD-DFT Calculations, NBO, NLO Analysis and Electronic Absorption Spectra of Some Novel Thiazolo[3,2-a]Pyridine Derivatives Bearing Anthracenyl Moiety | abdel halim, shimaa |
| 1-Dec-2018 | Theoretical approach for the performance of 4-mercapto-1-alkylpyridin-1-ium bromide as corrosion inhibitors using DFT | Gad, Elshafie A.M.; Azzam, E. M.S.; abdel halim, shimaa |
