Saeed Jameh-Bozorghi
Chemistry Department, Faculty of science, Islamic Azad University, Arak Branch, Arak, Iran
[ 1 ] - Neighboring group’s effect in sigmatropic migration on indol rings. A theoretical study and NBO analysis
Structural properties, energies behavior and NBO analysis was performed for1-5 prototrophic shift endinelboran where substitutions like H, CH3 and CF3 that were placed on Benzene were investigated by usingDFT-B3LYP/6-311+G** level of theory. The Results show that, -BH2 shift doesn’t take place and a kind of[1,3] shift for borotrophic occured. In prototrophic shift, however, [1,5] transition eas...
[ 2 ] - DFT studies of all fluorothiophenes and their radical cations as candidate monomers for conductive polymers
In this paper, electronic, structural, and spectroscopic properties of mono-, di-, tri-, andtetrafluorothiophenes and their radical cations are studied using the density functional theory andB3LYP method with 6-311++G** basis set. Also the effects of the number and position of thesubstituent on the electrochemical properties of the thiophene ring have been studied usingoptimized structures obta...
[ 3 ] - سنتز نانو-ماکرو ساختار منیزیم اکسید به روش آسان بدون استفاده از ماده فعال در سطح و بررسی کاربرد آن در رهایش داروی نیفدیپین
در این پژوهش، نانو-ماکرو منیزیم اکسید به‌آسانی و با نسبت‌های متفاوتی از اسیدآمینه آرژنین و اوره (بدون استفاده از ماده فعال در سطح) با ساختارهای متفاوت مکعبی و کروی با روش آب‌گرمایی در دمای 130 تا 180 درجه سانتی‌گراد در مدت 24 ساعت سنتز شد و در دمای 400 و 600 درجه سانتی‌گراد کلسینه شد تا نانوذراتی بین 42 تا 80 نانومتر به‌دست آید. شش فراورده به‌دست آمده با روش‌های پراش پرتو ایکس (XRD)، میکروسکوپ ...
[ 4 ] - Combine flake like magnesium hydroxide and cubic like aluminum hydroxide nanostructures in order to improve fire retardant of PVC and PMMA
In this study, Flake-like magnesium hydroxide (Mg(OH)2) and cubic-like aluminum hydroxide (Al(OH)3) nanostructures were synthesized via a simple co-precipitation method at relatively low temperature. Chemical properties and surface morphology of the magnesium hydroxide and aluminum hydroxide were characterized by X-ray diffraction analysis (XRD), scanning electron microscopy image (SEM), transm...
[ 5 ] - Computational study of substituent effect on the electronic properties of ferrocylidene acetophenones complexes
In this study, the substituent effect on the electronic, spectroscopic properties and thermodynamic parameters of neutral and oxidized states of ferrocylidene acetophenone complexes was investigated by adopting the hybrid meta exchange-correlation functional of M06-2X. The frontier orbitals and the highest occupied molecular orbitals–lowest unoccupied molecular orbitals gaps of the substituted ...
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