The effects of macrocycle and anchoring group replacements on the performance of porphyrin based sensitizer: DFT and TD-DFT study AS Shalabi, AM El Mahdy, HO Taha, KA Soliman Journal of Physics and Chemistry of Solids 76, 22-33, 2015 | 46 | 2015 |
Density functional investigation of CO and NO adsorption on TM-decorated C60 fullerene AM El Mahdy Applied Surface Science 383, 353-366, 2016 | 43 | 2016 |
An ab initio approach to bulk and surface properties of many-body energies and adsorptivity in MgO crystal AS Shalabi, AM El-Mahdy Journal of Physics and Chemistry of Solids 60 (3), 305-315, 1999 | 40 | 1999 |
DFT study of hydrogen storage in Pd-decorated C60 fullerene AME Mahdy Molecular Physics 113 (22), 3531-3544, 2015 | 39 | 2015 |
Adsorptivity of atomic H and coadsorptivity of Mg and O ions on regular and irregular surfaces of MgO: DFT calculations AS Shalabi, AM El-Mahdy Physics Letters A 281 (2-3), 176-186, 2001 | 38 | 2001 |
Glasner-Tompkins relation and reorientation of U centers in LiF crystals AS Shalabi, AM El-Mahdy, KM Eid, MA Kamel, AA El-Barbary Physical Review B 60 (13), 9377, 1999 | 31 | 1999 |
DFT and TD-DFT calculations of metallotetraphenylporphyrin and metallotetraphenylporphyrin fullerene complexes as potential dye sensitizers for solar cells AM El Mahdy, SA Halim, HO Taha Journal of Molecular Structure 1160, 415-427, 2018 | 23 | 2018 |
Excitons, electron center diffusion and adsorptivity of atomic H on LiH (0 0 1) surface: Ab initio study AS Shalabi, AM El-Mahdy, MA Kamel, HY Ammar Physica B: Condensed Matter 292 (1-2), 59-70, 2000 | 23 | 2000 |
STH centers in LiF and NaH crystals: ab initio calculations AS Shalabi, AM El-Mahdy, MA Kamel, GH Ismail Journal of Physics and Chemistry of Solids 62 (6), 1007-1013, 2001 | 22 | 2001 |
Properties of F+, F and F− electron centers and adsorptivity of atomic H on LiF and NaH isoelectronic crystals: an ab initio study AS Shalabi, AM El-Mahdy, MA Kamel, HY Ammar Physica B: Condensed Matter 304 (1-4), 444-455, 2001 | 21 | 2001 |
Type I FA (Rb+, Cs+) and II FA (Li+, Na+) tunable laser activities and donor-acceptor properties of O and O− at KCl (001) surface: first principle calculations AS Shalabi, TF El-Essawy, MM Assem, SA Aal, AM El-Mahdy Journal of Physics and Chemistry of Solids 63 (5), 749-758, 2002 | 20 | 2002 |
F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations AS Shalabi, TF El-Essawy, MM Assem, SA Aal, AM El-Mahdy Physica B: Condensed Matter 315 (1-3), 13-28, 2002 | 20 | 2002 |
The effect of ruthenium on the performance of porphyrin dye and porphyrin–fullerene dyad solar cells predicted by DFT and TD-DFT calculations AS Shalabi, S Abdel Aal, AM El Mahdy Molecular Simulation 39 (9), 689-699, 2013 | 18 | 2013 |
FA (Ga+, In+, Tl+) tunable laser activity and interaction of halogen atoms (F, Cl, Br, I, At) at the (001) surface of KCl crystal: ab initio calculations AS Shalabi, TF El-Essawy, MM Assem, S Abdel-Aal, AM El-Mahdy Current Applied Physics 2 (2), 97-105, 2002 | 17 | 2002 |
Al-Naimi, MA Kamel, AM El-Mahdy, HO Taha, MM Shalaby AS Shalabi, IAZ Alansari, K Kh Phys. Chem. Chem. Phys 6, 626, 2004 | 16 | 2004 |
Theoretical characterization of highly efficient porphyrazin dye sensitized solar cells AS Shalabi, AM El Mahdy, MM Assem, HO Taha, KA Soliman Journal of nanoparticle research 16, 1-17, 2014 | 14 | 2014 |
Theoretical characterization of axial deformation effects on hydrogen storage of Ti decorated armchair (5, 5) SWCNT AS Shalabi, AM El Mahdy, HO Taha Molecular Physics 111 (5), 661-671, 2013 | 13 | 2013 |
Density functional theory study of hydrogen storage on Ni-doped C59X (X = B, N) heterofullerene MAKFELS A. M. El Mahdy, H. O. Taha MOLECULAR PHYSICS 114 (9), 1539-1558, 2016 | 11 | 2016 |
Theoretical characterisation of irreversible and reversible hydrogen storage reactions on Ni-doped C60 fullerene AS Shalabi, AM El Mahdy, KA Soliman, HO Taha Molecular Physics 112 (23), 3057-3071, 2014 | 11 | 2014 |
Theoretical characterisation of highly efficient dye-sensitised solar cells AS Shalabi, AM El Mahdy, MM Assem, HO Taha, WS Abdel Halim Molecular Physics 112 (1), 22-34, 2014 | 11 | 2014 |