| عنوان البحث | ملخص البحث |
| Thermochemistry and Kinetics of Acetonylperoxy Radical Ismerisation and Decomposition :a qantum Chemistry and cvt/sct Approach | |
| Effect of Structural Properties of Acid Dyes on Their Adsorption Behaviour from Aqueous Solutions by Amine Modified Silica | |
| Enthalpies of Formation,Bond Dissocition Energies and Reaction Paths for the composition of Model Biofuels Ethyl Prapanaate and Methyl Butanoate | |
| The effect of constitutional and conformational isomerzation on the electrical properties of diblock molecular diode | |
| Effect of Applied Voltage on the Geometrical and Electronic Structures of Dipyrimidiny - Diphenyl Diblock as Molecular Diode : A DFT study | |
| Effect of Applied Voltage on the Gemetrical and Electronic Structures of Dipyrimidinyl-Diphenyl Dibock as a Molecular Diode:ADFT Study | |
| Biodiesel combustion: Kinetics and thermochemistry of H-atom abstraction from methyl propionate by (O) over dot (P-3) and O2H radicals: ab initio study | |
| First‑principle kinetic studies of unimolecular pyrolysis of isopropyl esters as biodiesel surrogates | |
| Biodiesel combustion: Kinetics and thermochemistry of H-atom abstraction from methyl propionate by Ö (3P) and O2H radicals: ab initio study | |
| Updated yields of nitrogenated species in flames of ammonia/benzene via introducing an aniline sub-mechanism | |
| Exploring reactions of amines-model compounds with NH2: In relevance to nitrogen conversion chemistry in biomass | |
| Thermo-kinetic theoretical studies on pyrolysis of dimethoxymethane fuel additive | |
| Ab initio-based kinetics of hydrogen atom abstraction from methyl propionate by H and CH3 radicals: a biodiesel model | |
| Synthesis, spectral characterization, density functional theory studies, and biological screening of some transition metal complexes of a novel hydrazide–hydrazone ligand of isonicotinic acid | |
| Mechanistic insights of the degradation of an O-anisidine carcinogenic pollutant initiated by OH radical attack: theoretical investigations | |
| Atmospheric chemistry of oxazole: the mechanism and kinetic studies of the oxidation reaction initiated by OH radicals | |
| Structures, energetics, and kinetics of H-atom abstraction from methyl propionate by molecular oxygen: Ab initio and DFT investigations | |
| Attenuation of Redox Switching and Rectification in Azulenequinones/Hydroquinones after B and N Doping: A First‐Principles Investigation | |
| A computational study on the kinetics of pyrolysis of isopropyl propionate as a biodiesel model: DFT and ab initio investigation | |
| Simulated kinetics of the atmospheric removal of aniline during daytime | |
| Chitosan, magnetite, silicon dioxide, and graphene oxide nanocomposites: Synthesis, characterization, efficiency as cisplatin drug delivery, and DFT calculations | |
| Synthesis, structural, spectroscopic, and thermal studies of some transition‐metal complexes of a ligand containing the amino mercapto triazole moiety | |
| A green approach for enhancing the hydrophobicity of UiO-66 (Zr) catalysts for biodiesel production at 298 K | |
| First-principle studies on the gas phase OH-initiated oxidation of O-toluidine | |
| Series of UiO-66(Zr)-Structured Materials with Defects as Heterogeneous Catalysts for Biodiesel Production | |
| Synthesis of polyaminophosphonic acid-functionalized poly (glycidyl methacrylate) for the efficient sorption of La (III) and Y (III) | |
