Физическая химия. Химическая физика

Моделирование адсорбции металлов

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Язык: Русский
Последние годы характеризуются возрастанием интереса к науке о поверхности и значительным изменением существующих здесь представлений. Эти процессы порождены новыми достижениями как в области эксперим ...

Use computational methods in studying mechanism unimolecular decay

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The aim of this work is develop the mechanism of decay of vinyl ethers by the formation of transition state (TS),in the level of quantum mechanical under thermal activation with format hydrogen bridge ...

Natural Adsorbent and Dyes

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Язык: Русский
The dust of woody plants Malus domestica and Prunus persica was activated by chemicals means. The surface was characterized by BET surface area, FTIR, Scanning electron micrograph, Energy dispersive s ...

Oxidation of Schiff Base Complexes - Kinetic Aspects

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In this work, the reaction between Fe(II) Schiff base complexes and H2O2 was carried out in aqueous, co-organic media and in the presence of added salts. Moreover the activation parameters were calcul ...

Dimers of diazanaphthalenes: An MP2, meta-GGA and DFT-D investigation

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Diazanaphthalenes are a broad class of heteroaromatic compounds with several technological and pharmacological applications. Some of these applications are attributed to the ability of diazanaphthalen ...