کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5185760 1381087 2007 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
3D-QSAR study of ansa-metallocene catalytic behavior in ethylene polymerization
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
3D-QSAR study of ansa-metallocene catalytic behavior in ethylene polymerization
چکیده انگلیسی

ansa-Zirconocene complexes have been studied by Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR). Using the comparative molecular field analysis (CoMFA) method, the experimental results obtained for catalytic activity and polymer molecular weight have been successfully correlated with the steric and electrostatic 3D structural descriptors, which were calculated by density functional theory (DFT) methods.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polymer - Volume 48, Issue 16, 27 July 2007, Pages 4663-4674
نویسندگان
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