کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5393266 1505563 2015 37 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics simulation of inhibition mechanism of 3,5-dibromo salicylaldehyde Schiff's base
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Molecular dynamics simulation of inhibition mechanism of 3,5-dibromo salicylaldehyde Schiff's base
چکیده انگلیسی
In the initial of adsorbed configuration, the inhibitor molecules are oriented vertically attached on the metal surface as shown in Fig. 2. After the simulation, the result shows that the existence of water molecules have a great influence on Schiff base inhibitor molecules, according to movement of surrounding water molecules, they occur a slight vibrations. When the inhibitor molecules continue move to the bottom of the solvent layer, they interact with water molecules, the inhibitor molecules continue tilt slowly until parallel to metal surface (Fig. 8).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1063, 1 July 2015, Pages 50-62
نویسندگان
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