| عنوان البحث | ملخص البحث |
| DFT/TD-DFT calculations of the electronic and optical properties of bis-N, N-dimethylaniline-based dyes for use in dye-sensitized solar cells | |
| A computational study on the structures and energetics of isobutanol pyrolysis | |
| Thermochemistry and kinetics of isobutanol oxidation by the OH radical | |
| A computational study on the kinetics of pyrolysis of isopropyl propionate as a biodiesel model: DFT and ab initio investigation | |
| THE FIRST SYNTHESIS OF 3-O-METHYLCYANIDIN AND THE EFFECT OF 3-O-SUBSTITUTION ON STABILITY UNDER ACIDIC CONDITIONS | |
| A W1 computational study on the kinetics of initial pyrolysis of a biodiesel model: methyl propanoate
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| 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
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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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| Ab initio calculations on structure and stability of BN/CC isosterism in azulene
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