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 |
Adsorption of He and Ne on regular, irregular and defected surfaces of LiH crystal: ab initio study AS Shalabi, MM Assem, S Abdel-Aal, MA Kamel, MM Abd El-Rahman Solid state communications 111 (12), 735-740, 1999 | 16 | 1999 |
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 | 15 | 2013 |
The role of artificial polarization in FA2: Ca2+ lasers and NO interactions at RbCl (0 0 1) surface: An ab initio study AS Shalabi, SA Aal, MA Kamel, HO Taha, WSA Halim Physica B: Condensed Matter 387 (1-2), 6-17, 2007 | 7 | 2007 |
Tuning hydrogen storage of carbon nanotubes by mechanical bending: theoretical study AS Shalabi, WS Abdel Halim, S Abdel Aal, KA Soliman Molecular Simulation 42 (9), 709-714, 2016 | 5 | 2016 |
Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations AS Shalabi, S Abdel Aal, WS Abdel Halim, N Abdullah International Journal of Quantum Chemistry 112 (15), 2743-2751, 2012 | 5 | 2012 |
Ti functionalized carbon and boron nitride chains: a promising material for hydrogen storage AS Shalabi, S Abdel Aal, KA Soliman Structural Chemistry 29, 563-576, 2018 | 3 | 2018 |
Reactivity of boron- and nitrogen-doped carbon nanotubes functionalized by (Pt, Eu) atoms toward O2 and CO: A density functional study S Abdel Aal International Journal of Modern Physics C 27 (07), 1650075, 2016 | 3 | 2016 |
Molecular Charge-Transfer Complex between Thymol Drug and Bromocresol purple AAA Ibrahim, ESH El-Mossalamy, S Abdel-Aal World Journal of Pharmaceutical Sciences, 156-166, 2017 | 1 | 2017 |
Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study WS Abdel Halim, N Abdullah, S Abdel-Aal, AS Shalabi Journal of molecular modeling 18, 2493-2500, 2012 | | 2012 |
Facile Synthesis and Dft-Tddft Studies of Charge Transfer Complexes in Vitro [Hbt] and [Fbt] 4, 5, 6, 7 Tetrahydrobenzo [B] Thiophene-3-Carbonitrile with Nitrobenzene as Π … S Abdel Aal, EH El-Mossalamy, B El-Gendy EH and El-Gendy, Bahaa, Facile Synthesis and Dft-Tddft Studies of Charge …, 0 | | |