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Synthesis, Structure, and Properties of Boron- and Nitrogen-Doped Graphene

✍ Scribed by L. S. Panchakarla; K. S. Subrahmanyam; S. K. Saha; Achutharao Govindaraj; H. R. Krishnamurthy; U. V. Waghmare; C. N. R. Rao

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
554 KB
Volume
21
Category
Article
ISSN
0935-9648

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## Abstract The lowest‐energy structures and electronic properties of the BLi__~n~__ (__n__ = 1–7) clusters are reported using the B3LYP, MP2, and CCSD(T) methods with the aug‐cc‐pVDZ basis set. Though the results at the B3LYP level agree well with those at the CCSD(T) level, the MP2 method is rath