Thermochemistry and kinetics of the thermal degradation of 2-methoxyethanol as possible biofuel additives MA Abdel-Rahman, N Al-Hashimi, MF Shibl, K Yoshizawa, AM El-Nahas Scientific reports 9 (1), 4535, 2019 | 29 | 2019 |
Thermo-kinetic theoretical studies on pyrolysis of dimethoxymethane fuel additive JS Al-Otaibi, MA Abdel-Rahman, AH Almuqrin, TM El-Gogary, ... Fuel 290, 119970, 2021 | 28 | 2021 |
Simulated kinetics of the atmospheric removal of aniline during daytime MA Abdel-Rahman, MF Shibl, SH El-Demerdash, AM El-Nahas Chemosphere 255, 127031, 2020 | 26 | 2020 |
A computational study on the kinetics of pyrolysis of isopropyl propionate as a biodiesel model: DFT and ab initio investigation A Shiroudi, K Hirao, K Yoshizawa, M Altarawneh, MA Abdel-Rahman, ... Fuel 281, 118798, 2020 | 22 | 2020 |
Computational studies on the thermodynamic and kinetic parameters of oxidation of 2-methoxyethanol biofuel via H-atom abstraction by methyl radical MA Abdel-Rahman, TM El-Gogary, N Al-Hashimi, MF Shibl, K Yoshizawa, ... Scientific reports 9 (1), 15361, 2019 | 20 | 2019 |
Structures, energetics, and kinetics of H-atom abstraction from methyl propionate by molecular oxygen: Ab initio and DFT investigations MAM Mahmoud, A Shiroudi, MA Abdel-Rahman, MF Shibl, S Abdel-Azeim, ... Computational and Theoretical Chemistry 1196, 113119, 2021 | 19 | 2021 |
Atmospheric chemistry of oxazole: the mechanism and kinetic studies of the oxidation reaction initiated by OH radicals A Shiroudi, MA Abdel-Rahman, AM El-Nahas, M Altarawneh New Journal of Chemistry 45 (4), 2237-2248, 2021 | 16 | 2021 |
Ab initio-based kinetics of hydrogen atom abstraction from methyl propionate by H and CH3 radicals: a biodiesel model JS Al-Otaibi, MAM Mahmoud, AH Almuqrin, TM El-Gogary, ... Structural Chemistry 32, 1857-1872, 2021 | 14 | 2021 |
Mechanistic insights of the degradation of an O-anisidine carcinogenic pollutant initiated by OH radical attack: theoretical investigations MA Abdel-Rahman, MF Shibl, AM El-Nahas, S Abdel-Azeim, ... New Journal of Chemistry 45 (13), 5907-5924, 2021 | 13 | 2021 |
First-principle studies on the gas phase OH-initiated oxidation of O-toluidine MA Abdel-Rahman, MF Shibl, SH El-Demerdash, AM El-Nahas Computational and Theoretical Chemistry 1170, 112634, 2019 | 13 | 2019 |
Theoretical studies on thermochemistry and kinetics of hydrogen abstraction from 2-methoxyethanol by hydrogen atom MA Abdel-Rahman, SH El-Demerdash, AM El-Nahas Int J Adv Sci Tech Res 2, 203-213, 2017 | 13 | 2017 |
First-principle kinetic studies of unimolecular pyrolysis of isopropyl esters as biodiesel surrogates TM El-Gogary, LA Heikal, MA Abdel-Rahman, AM El-Nahas Theoretical Chemistry Accounts 140, 1-15, 2021 | 12 | 2021 |
Theoretical investigations on the unimolecular decomposition mechanisms of isopropyl acetate MA Abdel-Rahman, A Shiroudi, S Kaya, AM El-Nahas Journal of Molecular Structure 1262, 133006, 2022 | 9 | 2022 |
A W1 computational study on the kinetics of initial pyrolysis of a biodiesel model: Methyl propanoate MA Abdel-Rahman, AM El-Nahas, JM Simmie, S Abdel-Azeim, ... New Journal of Chemistry 45 (41), 19531-19541, 2021 | 9 | 2021 |
Structures, energetics, and spectra of (NH) and (OH) tautomers of 2-(2-Hydroxyphenyl)-1-azaazulene: a density functional theory/time-dependent density functional theory study AB El-Meligy, SH El-Demerdash, MA Abdel-Rahman, MAM Mahmoud, ... ACS omega 7 (16), 14222-14238, 2022 | 8 | 2022 |
First-principles density functional theoretical study on the structures, reactivity and spectroscopic properties of (NH) and (OH) Tautomer's of 4-(methylsulfanyl)-3 [(1Z)-1-(2 … SA Halim, MA Abdel-Rahman Scientific Reports 13 (1), 8909, 2023 | 6 | 2023 |
Computational studies on thermo-kinetics aspects of pyrolysis of isopropyl acetate and its methyl, bromide and hydroxyl derivatives SHR Shojaei, A Shiroudi, MA Abdel-Rahman Heliyon 8 (11), 2022 | 6 | 2022 |
Pyrolytic elimination of ethylene from ethoxyquinolines and ethoxyisoquinolines: a computational study MA Abdel-Rahman, MF Shibl, MAM Mahmoud Scientific Reports 13 (1), 6248, 2023 | 4 | 2023 |
Ab initio calculations on structure and stability of BN/CC isosterism in azulene MA Abdel-Rahman, KA Soliman, S Abdel-Azeim, AM El-Nahas, ... Scientific Reports 13 (1), 10260, 2023 | 1 | 2023 |
Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals MA Abdel-Rahman, MF Shibl, A Shiroudi, MAM Mahmoud Green Chemistry Letters and Reviews 16 (1), 2233539, 2023 | 1 | 2023 |