| عنوان البحث | ملخص البحث |
| Quantum chemical calculations on the structure and stability of Mg2+ XH3OH complexes in the gas phase (X= C, Si, and Ge) | |
| Simulated kinetics of the atmospheric removal of aniline during daytime | |
| Theoretical studies on Thermochemistry and Kinetics of Hydrogen Abstraction from 2-Methoxyethanol by Hydrogen atom | |
| First-principle studies on the gas phase OH-initiated oxidation of O-toluidine | |
| Oxidation of Methyl Propanoate by the OH Radical | |
| Modeling of thermochemistry of thermal decomposition of methyl propionate and ethyl acetate biodiesel | |
| Umbrella inversion and structure of phosphorus-containing compounds: A quantum chemical study | |
| A computational study of gas-phase acidity and basicity of azulene-based uracil analogue | |
| Structure, stability and conversions of tautomers and rotamers of azulene-based uracil analogue | |
| Mechanistic insights of the degradation of an O-anisidine carcinogenic pollutant initiated by OH radical attack: theoretical investigations | |
| Electronic transport investigation of redox-switching of azulenequinones/hydroquinones via first-principles studies | |
| A thermochemical computational study on hydroxyquinolines and their azulene analogues | |
| Effect of an External Electric Field on Structure, Stability and Energetic of Mg 2 CH3OH Complex: A DFT Study | |
| A computational study on molecular structure and stability of tautomers of dipyrrole-based phenanthroline analogue | |
| A thermochemistry and kinetic study on the thermal decomposition of ethoxyquinoline and ethoxyisoquinoline | |
| Effect of Inserting Azabenzenes Linkers into TPA-Based Dye Sensitizers for Use in Solar Cells: DFT and TDDFT Calculations | |
| Structure and Stability of Magnesium Dication Solvated by Dimethyl sulfide | |
| 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 | |
| Effect of Polymer Waste Mix Filler on Polymer Concrete Composites
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| Isosterism in pyrrole via azaboroles substitution, a theoretical investigation for electronic structural, stability and aromaticity
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| A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers
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| A W1 computational study on the kinetics of initial pyrolysis of a biodiesel model: Methyl propanoate
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| Effect of an External Electric Field on Structure, Stability and Energetic of Mg 2 CH3OH Complex: A DFT Study
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