| CO catalytic oxidation on Pt-doped single wall boron nitride nanotube: first-principles investigations SA Aal Surface Science 644, 1-10, 2016 | 27 | 2016 |
| Hydrogen storage reactions on titanium decorated carbon nanocones theoretical study AS Shalabi, HO Taha, KA Soliman, SA Aal Journal of Power Sources 271, 32-41, 2014 | 26 | 2014 |
| The role of oxidation states in FA1 Tln+ (n= 1, 3) lasers and CO interactions at the (1 0 0) surface of NaCl: An ab initio study AS Shalabi, SA Aal, MA Kamel, HO Taha, HY Ammar, WSA Halim Chemical physics 328 (1-3), 8-16, 2006 | 23 | 2006 |
| Ab initio characterization of Ti decorated SWCNT for hydrogen storage AS Shalabi, SA Aal, MM Assem, WSA Halim International journal of hydrogen energy 38 (1), 140-152, 2013 | 21 | 2013 |
| 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 |
| 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 | 19 | 2002 |
| 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 |
| Artificial polarization effects on FA1: Sr2+ lasers and NO interactions at NaCl (0 0 1) surface: First principles calculations AS Shalabi, SA Aal, WSA Halim, HY Ammar Journal of Molecular Structure: THEOCHEM 823 (1-3), 47-58, 2007 | 15 | 2007 |
| 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 | 14 | 2013 |
| Metallophthalocyanine and Metallophthalocyanine–fullerene complexes as potential dye sensitizers for solar cells DFT and TD-DFT calculations AS Shalabi, SA Aal, MM Assem, KA Soliman Organic Electronics 13 (10), 2063-2074, 2012 | 14 | 2012 |
| CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations WSA Halim, SA Aal, AS Shalabi Thin Solid Films 516 (12), 4360-4365, 2008 | 12 | 2008 |
| 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 |
| Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations AS Shalabi, SA Aal, WS Abdel Halim, MS Ghonaim International Journal of Quantum Chemistry 111 (10), 2444-2453, 2011 | 6 | 2011 |
| Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study SA Aal, WSA Halim, AS Shalabi Solid state communications 148 (9-10), 464-468, 2008 | 6 | 2008 |
| Theoretical investigation of favipiravir antiviral drug based on fullerene and boron nitride nanocages KA Soliman, SA Aal Diamond and related materials 117, 108458, 2021 | 5 | 2021 |
| 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 |
| Magnetic and binding properties of Co-doped single-walled carbon nanotubes: a first principles study AS Shalabi, MM Assem, SA Aal, KA Soliman Journal of Nanoparticle Research 14 (6), 1-15, 2012 | 5 | 2012 |
| Enhancement of hydrogen storage capacities of Co and Pt functionalized h-BN nanosheet: Theoretical study SA Aal, AK Alfuhaidi Vacuum 183, 109838, 2021 | 4 | 2021 |
| High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone:A First-Principles Study KAS S. Abdel Aal*, A. S. Shalabi Journal of Quantum Information Science 5, 134-149, 2015 | 4 | 2015 |
Wael Salah Abdel HalimProfessor of Quantum Chemistry, Zagazig UniversityVerified email at zu.edu.eg
