Computational aspects of line graph of carbon nanocones
نویسندگان
چکیده
منابع مشابه
Computational studies of carbon decorated boron nitride nanocones
Density functional theory ,(DFT) calculations have been performed to investigate the properties ofcarbon decorated (C-decorated) models of boron nitride (BN) nanocones. To this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the C-decorated models. Theresults indicated that dipole moments and energy gaps could reveal the effects of C-decorations onthe pro...
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در این پایان نامه رنگ آمیزی دینامیکی یک گراف را بیان و مطالعه می کنیم. یک –kرنگ آمیزی سره ی رأسی گراف g را رنگ آمیزی دینامیکی می نامند اگر در همسایه های هر رأس v?v(g) با درجه ی حداقل 2، حداقل 2 رنگ متفاوت ظاهر شوند. کوچکترین عدد صحیح k، به طوری که g دارای –kرنگ آمیزی دینامیکی باشد را عدد رنگی دینامیکی g می نامند و آنرا با نماد ?_2 (g) نمایش می دهند. مونت گمری حدس زده است که تمام گراف های منتظم ...
15 صفحه اولcomputational studies of carbon decorated boron nitride nanocones
density functional theory ,(dft) calculations have been performed to investigate the properties ofcarbon decorated (c-decorated) models of boron nitride (bn) nanocones. to this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the c-decorated models. theresults indicated that dipole moments and energy gaps could reveal the effects of c-decorations onthe pro...
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We design nickel-doped and nitrogen-doped carbon nanocones with various amounts of buckling that feature square-planar, (approximate) tetrahedral, and octahedral coordination. The optimized geometries and electronic structures of these novel metallocarbon complexes are calculated by using the B3LYP (Gaussian03) and GGA-BLYP (ADF) exchange-correlation functionals. We analyze buckling and stabili...
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ژورنال
عنوان ژورنال: Journal of the National Science Foundation of Sri Lanka
سال: 2019
ISSN: 2362-0161,1391-4588
DOI: 10.4038/jnsfsr.v47i4.9681