مرور Volume 9, Issue 1 بر اساس عنوان
در حال نمایش موارد 1 - 4 از 4
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Decontamination of DMMP by adsorption on ZnO, A Computational Study
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2012-05-01)Ab initio calculations at the density functional theory (DFT) and the second-order Møller−Plessetperturbation theory levels with 6-31+G(d), 6-31G(d) basis sets for non-metal atoms and LANL2DZfor metal have been ...
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Effect of Catalyst on the Growth of Diamond-like Carbon by HFCVD
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2012-05-01)Diamond like carbon (DLC) film was grown by hot filament chemical vapor deposition (HFCVD)technique. In the present work, we investigated the quality of the DLC films groew on the substratesthat were coated ...
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NMR and vibrational spectra of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2- b][1,2,4]triazine-4,8-dione: a joint of experimental and DFT
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2012-05-01)The IR and NMR spectra were coupled with quantum chemical calculations in DFT approach usingthe hybrid B3LYP exchange-correlation functional to confirm the structure of 2-methoxycarbonyl-7-methyl-1,3-thiazino ...
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Thermodynamics of Ion Association in the Saturated Solution of The Mixed Solvent (methanol+water) and Ion Pairing at 25.0°C
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2012-05-01)In this study, the ion association phenomenon in the saturated solution of KCl in the mixed solvent(methanol+water) was studied. The solubility of this compound in the mixed solvent (methanol+water by value ...
