| Interaction of polar and nonpolar organic pollutants with soil organic matter: Sorption experiments and molecular dynamics simulation AA Ahmed, S Thiele-Bruhn, SG Aziz, RH Hilal, SA Elroby, AO Al-Youbi, ... Science of the total environment 508, 276-287, 2015 | 90 | 2015 |
| Microwave assisted synthesis of chalcone and its polycyclic heterocyclic analogues as promising antibacterial agents: In vitro, in silico and DFT studies SA Khan, AM Asiri, NSM Al-Ghamdi, M Asad, MEM Zayed, SAK Elroby, ... Journal of Molecular Structure 1190, 77-85, 2019 | 55 | 2019 |
| Molecular design of donor-acceptor dyes for efficient dye-sensitized solar cells I: a DFT study RM El-Shishtawy, AM Asiri, SG Aziz, SAK Elroby Journal of molecular modeling 20, 1-9, 2014 | 49 | 2014 |
| Synthesis and characterization of nano-sized ceria powder via oxalate decomposition route MA Gabal, SAK Elroby, AY Obaid Powder Technology 229, 112-118, 2012 | 42 | 2012 |
| Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties SG Aziz, SA Elroby, A Alyoubi, OI Osman, R Hilal Journal of molecular modeling 20, 1-15, 2014 | 41 | 2014 |
| Optical absorption spectra and electronic properties of symmetric and asymmetric squaraine dyes for use in DSSC solar cells: DFT and TD-DFT studies RM El-Shishtawy, SA Elroby, AM Asiri, K Müllen International Journal of Molecular Sciences 17 (4), 487, 2016 | 38 | 2016 |
| Packing and disorder in substituted fullerenes NR Tummala, SA Elroby, SG Aziz, C Risko, V Coropceanu, JL Brédas The Journal of Physical Chemistry C 120 (31), 17242-17250, 2016 | 36 | 2016 |
| Quantum topology of the charge density of chemical bonds. QTAIM analysis of the C-Br and O-Br bonds R Hilal, SG Aziz, AO Alyoubi, S Elroby Procedia Computer Science 51, 1872-1877, 2015 | 35 | 2015 |
| Corrosion inhibition of type 430 stainless steel in an acidic solution using a synthesized tetra-pyridinium ring-containing compound AY Obaid, AA Ganash, AH Qusti, SA Elroby, AA Hermas Arabian journal of chemistry 10, S1276-S1283, 2017 | 33 | 2017 |
| Kinetics and mechanism of periodate oxidation of two ternary nitrilotriacetatochromium (III) complexes involving histidine and aspartate co-ligands HA Ewais, MA Habib, SAK Elroby Transition Metal Chemistry 35, 73-80, 2010 | 28 | 2010 |
| Unconventional hydrogen bonding to organic ions in the gas phase: Stepwise association of hydrogen cyanide with the pyridine and pyrimidine radical cations and protonated pyridine AM Hamid, MS El-Shall, R Hilal, S Elroby, SG Aziz The Journal of Chemical Physics 141 (5), 2014 | 25 | 2014 |
| Regioselectivity of 1, 3-dipolar cycloadditions and antimicrobial activity of isoxazoline, pyrrolo [3, 4-d] isoxazole-4, 6-diones, pyrazolo [3, 4-d] pyridazines and pyrazolo [1 … YH Zaki, AR Sayed, SA Elroby Chemistry Central Journal 10, 1-13, 2016 | 24 | 2016 |
| Hydration of the pyrimidine radical cation and stepwise solvation of protonated pyrimidine with water, methanol, and acetonitrile AM Hamid, P Sharma, M Samy El-Shall, R Hilal, S Elroby, SG Aziz, ... The Journal of Chemical Physics 139 (8), 2013 | 23 | 2013 |
| Multistep Synthesis of Fluorine‐Substituted Pyrazolopyrimidine Derivatives With Higher Antibacterial Efficacy Based on In Vitro Molecular Docking and Density … SA Khan, AM Asiri, RM Rahman, SA Elroby, FMS Aqlan, MY Wani, ... Journal of Heterocyclic Chemistry 54 (6), 3099-3107, 2017 | 22 | 2017 |
| Experimental and theoretical study of donor-π-acceptor compounds based on malononitrile MEM Zayed, RM El-Shishtawy, SA Elroby, KO Al-Footy, ZM Al-Amshany Chemistry Central Journal 12, 1-10, 2018 | 21 | 2018 |
| Electronic structure of orotic acid I. Geometry, conformational preference and tautomerism R Hilal, ZM Zaky, SAK Elroby Journal of Molecular Structure: THEOCHEM 685 (1-3), 35-42, 2004 | 21 | 2004 |
| Structural Elucidation and Antimicrobial Evaluation of Novel [1,2,4]Triazolo[4,3‐a]pyrimidines and Pyrido[2,3‐d][1,2,4]triazolo[4,3‐a]pyrimidinones SM Gomha, AMG Mohamed, YH Zaki, MM Ewies, SA Elroby Journal of Heterocyclic Chemistry 55 (5), 1147-1156, 2018 | 20 | 2018 |
| Design of molecular switching and signaling based on proton transfer in 2-hydroxy Schiff bases:a computational study RH Salem Abood Hameed, Saaban K Alrouby Journal of molecular modeling 19 (2), 559-569, 2013 | 19 | 2013 |
| Proton-coupled electron transfer in dye-sensitized solar cells: a theoretical perspective SG Aziz, OI Osman, SA Elroby, WMI Hassan, A Jedidi, RH Hilal Structural Chemistry 29, 983-997, 2018 | 16 | 2018 |
| Electronic structure of orotic acid III geometric feature and thermal properties of some transition metal orotic acid complexes R Hilal, ZM Zaky, SAK Elroby Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 63 (3 …, 2006 | 16 | 2006 |
Rifaat HilalProfessor of Theoretical Chemistry , Cairo University, Egypt.כתובת אימייל מאומתת בדומיין kau.edu.sa