کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9578181 1505207 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures
چکیده انگلیسی
A graph theoretical index, here called a long-bond index (or a generalized Pauling bond order), predicts well the degree of electric conductance for (carbon sheet and carbon cylinder-shaped) molecular nano-structures. Some results are compared with those by means of molecular-orbital-theoretic Green's function methods. The present alternative method is based on long-bond (or excited) structure counting as suggested from valence bond resonance theoretic ideas.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 402, Issues 4–6, 4 February 2005, Pages 554-558
نویسندگان
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