منابع مشابه
Crystals of covalently bonded carbon nanotubes: Energetics and electronic structures
Structure and stability of hexagonally polymerized carbon nanotube solids are investigated using a generalized tight-binding molecular-dynamics scheme. The stable structures show internanotube connectivity via the 212 and 214 cycloaddition process. Calculated electronic density of states indicates that the studied materials have semiconducting or insulating properties depending on the type of i...
متن کاملLEWIS BASE ADDUCTS OF LEAD(I1) COMPOUNDS IV*, SYNTHESIS AND CRYSTAL STRUCTURES OF (DINITRATO) (1,4,8,11- TETRA- AZAANDECANE) LEAD(I1)
The synthesis and single-crystal X-ray structure determination of the title compound (dinitrato) (1,4,8,11 -tetra-azaandecane) lead(II) is described. Crystals are monoclinic, P2 /ca= 10.271 (2)?,b= 13.524(4) ?,c= 11.298(6) ?,?=94.68(3),2=4,R,Rw, 0.036 and 0.041, respectively. The lead atom is eight-coordinate [Pb-N, 2.44 (2) - 2.55 (1)], [Pb-0,2.87 (1) - 3.06 (2)].
متن کاملlewis base adducts of lead(i1) compounds iv*, synthesis and crystal structures of (dinitrato) (1,4,8,11- tetra- azaandecane) lead(i1)
the synthesis and single-crystal x-ray structure determination of the title compound (dinitrato) (1,4,8,11 -tetra-azaandecane) lead(ii) is described. crystals are monoclinic, p2 /ca= 10.271 (2)?,b= 13.524(4) ?,c= 11.298(6) ?,?=94.68(3),2=4,r,rw, 0.036 and 0.041, respectively. the lead atom is eight-coordinate [pb-n, 2.44 (2) - 2.55 (1)], [pb-0,2.87 (1) - 3.06 (2)].
متن کاملMacromolecular structures without crystals.
E lectron microscopy has many attractive capabilities as a tool for experimentally visualizing the structures of biological cells and macromolecules. Particles can be imaged while freely suspended in biochemically ‘‘native’’ buffers, and electrons can be focused to resolutions exceeding anything that a biochemist’s heart might desire. To be sure, biological electron microscopy also is subject t...
متن کاملMethod for calculating electronic structures near surfaces of semi-infinite crystals
We present a stable scheme to calculate continum and bound electronic states in the vicinity of a surface of a semi-infinite crystal within the framework of density functional theory. The method is designed for solution of the Kohn-Sham equations in a pseudpotential formulation, including both local and separable nonlocal contributions. The method is based on the Numerov integration algorithm a...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 1922
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja01430a001