مرور Volume 15, Issue 1 بر اساس عنوان
در حال نمایش موارد 1 - 6 از 6
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Computational Investigation on Naphthoquinone Derivatives :Nuclear Magnetic Resonance (NMR) and Quantum mechanic
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)Naphthoquinones are natural aromatic compounds that can be discovered in various plant families. In recent times a diversity of biological activities of these compounds has been reported. In most cases, these pharmacological ...
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Enhanced Removal of Trihalomethanes(THMs) from Aqueous Solutions Using Activated Carbon from Walnut Wood(WC) on Equilibrium, Thermodynamic and Kinetics
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)In this study, carbon was made from walnut wood as a low-cost and non-toxicnatural adsorbent.Walnut wood(WC), were successfully synthesized by an in chemical vapor deposition methodthen characterized using FT-IR techniques ...
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Investigating the Effect of Fullerene (C20) Substitution on the Structural and Energetic Properties of Tetryl by Density Functional Theory
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)The substitution reaction of pure, silicon doped and germanium doped fullerenes and tetryl were evaluated computationally at two configurations, in this study. For this purpose, all of the studied structures were optimized ...
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TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)The electronic structure and spectra of 3-formylchromone and some of its derivatives are investigated using TD-DFT/B3LYB/6-311G (d, p) level of theory. The results of calculations show that all the studied compounds 1–6 ...
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Theoretical structural analysis of 3-CHLORO-4-FLUORO-ANILINE.
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)This study was designed to compute the spectroscopic properties of aniline family, and educates the 3chloro-4-fluoro-aniline, which have unique pharmaceutical important. The structural and spectroscopic properties were ...
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The Use of Corn cob Micro Powder as a Low Cost Adsorbent, for the Removal of Co2+Ion from Aqueous Solutions and from the View Point Thermodynamics
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)Corn cob as a low cost adsorbent was used in the present work for the removal of toxic heavy metal Co2+ from aqueous solutions. Bath experiments were used to determine the best adsorption conditions. The equilibrium ...
