Challenges in the theoretical description of nanoparticle reactivity: Nano zero‐valent iron
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چکیده
منابع مشابه
the description of verb phrase of dezfuli dialect
شهرستان دزفول در بخش شمالغربی خوزستان با مساحت 4700 کیلومتر مربع و جمعیت 380416 (1375 ) واقع شده است . دزفولیها به گویش دزفولی تکلم می کنند ، گویشی که جز دسته جنوبی زبانهای ایرانی است . در این پایان نامه نویسنده قصد دارد گروه فعلی گویش دزفولی را توصیف کند. همچنین به بحث در باره ریشه فعلی و ستاک های مختلف ، ساخت سببی ، فعل های منظم و نامنظم ، ویژگیهای فعل مانند زمان ، وجه و نمود می پردازد در فصل...
Density functional theory studies on the relative reactivity of chloroethenes on zerovalent iron.
The gas-phase dissociation of perchloroethene (PCE), trichloroethene (TCE), and cis-dichloroethene (cis-DCE) on zerovalent iron Fe(110) was investigated using periodic density functional theory (DFT) with the generalized gradient approximation (GGA) and climbing image nudged elastic band method (CI-NEB). Activation energies and dechlorination rate constants for reductive beta-elimination of the...
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The present work was conducted for Arsenic (III) removal, which one of the most poisonous groundwater pollutants, by synthetic nano size zerovalent iron (nZVI). Batch experiments were performed to investigate the influence of As (III), nZVI concentration, pH of solution and contact time on the efficiency of As (III) removal. nZVI was synthesized by reduction of ferric chloride by sodium borohyd...
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The present work was conducted for the synthesis of nano size zerovalent iron (nZVI) and hexavalent chromium (Cr(VI)) removal as a highly toxic pollutant by using this nanoparticles. Batch experiments were performed to investigate the effects of Cr(VI), nZVI concentration, pH of solution and contact time variation on the removal efficiency of Cr(VI). nZVI was synthesized by reduction of ferric ...
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The reduction of Triphos [PhP(CH(2)CH(2)PPh(2))(2)] iron halide complexes has been explored, yielding formally zerovalent (κ(3)-Triphos)Fe(κ(2)-Triphos) and (κ(3)-Triphos)Fe(κ(2)-Bpy). Electrochemical analysis, coupled with the metrical parameters of (κ(3)-Triphos)Fe(κ(2)-Bpy), reveal an electronic structure consistent with a π-radical monoanion bipyridine chelate that is antiferromagnetically ...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2014
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.24627