کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5376535 1504323 2007 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The twisted arc model for chiral molecules
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
The twisted arc model for chiral molecules
چکیده انگلیسی
We present a simple model for chiral molecules which yields the frequency-dependent multipole-multipole polarizabilities required for calculating the dispersive van der Waals constants in a simple, closed, and consistent form. The model consists of a single effective charge confined to a one-dimensional wire formed by two circular arcs, which are twisted with respect to each other by an angle characterizing the chirality. The resulting polarizabilities show a simple functional dependence on the model parameters, and they serve to mimic the chiral properties of small molecules, such as H2S2, in a reasonably realistic way.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 335, Issues 2–3, 20 June 2007, Pages 115-123
نویسندگان
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