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151.
Geng J Singh C Shephard DS Shaffer MS Johnson BF Windle AH 《Chemical communications (Cambridge, England)》2002,(22):2666-2667
A simple method for the synthesis of high purity single wall carbon nanotubes has been developed by using nickel formate as a precursor for the formation of nearly mono-dispersed nickel seed-nanoparticles as catalysts in the CVD growth process. 相似文献
152.
153.
The linearized Poisson—Boltzmann equation is solved in the region between a sphere and a plane, which is modelling the electrolyte solution interface between the tip and the substrate in a scanning tunneling microscope. A series expansion in modified Bessel functions and Legendre polynomials, which are solutions to the linearized Poisson—Boltzmann equation, is used to fit the boundary conditions. Another numerical method of finite difference is also used with the domain transformed into bispherical coordinates. Results for cases of different potential values on the boundary surfaces and different distances of the sphere from the plane are presented. 相似文献
154.
Bernd Hartke Douglas A. Gibson Emily A. Carter 《International journal of quantum chemistry》1993,45(1):59-70
This is the first application of a rigorous, established multiple time-step method to ab initio molecular dynamics. The resulting algorithm is conceptually simple and easy to implement, but very effective. It translates the large mass differences present in ab initio molecular dynamics into substantial savings in computer time while retaining high accuracy. This transforms ab initio molecular dynamics from a desirable but prohibitively expensive possibility into a viable method, at least for short-time phenomena in small systems or for otherwise inaccessibly complicated potential energy surfaces. © 1993 John Wiley & Sons, Inc. 相似文献
155.
Diantha R. Kelman Lisa F. Szczepura Karen I. Goldberg Werner Kaminsky Anne K. Hermetet Lily J. Ackerman John K. Swearingen Douglas X. West 《Journal of Molecular Structure》2002,610(1-3):143-150
N-2-(4-picolyl)-N′-2-chlorophenylthiourea, 4PicTu2Cl, monoclinic, P21/c, a=10.068(5), b=11.715(2),
β=96.88(4)°,
and Z=4; N-2-(6-picolyl)-N′-2-chlorophenylthiourea, 6PicTu2Cl, triclinic, P-1, a=7.4250(8), b=7.5690(16), c=12.664(3) Å, =105.706(17), β=103.181(13), γ=90.063(13)°, V=665.6(2) Å3 and Z=2 and N-2-(6-picolyl)-N′-2-bromophenylthiourea, 6PicTu2Br, triclinic, P-1, a=7.512(4), b=7.535(6), c=12.575(4) Å, a=103.14(3), β=105.67(3), γ=90.28(4)°, V=665.7(2) Å3 and Z=2. The intramolecular hydrogen bonding between N′H and the pyridine nitrogen and intermolecular hydrogen bonding involving the thione sulfur and the NH hydrogen, as well as the planarity of the molecules, are affected by the position of the methyl substituent on the pyridine ring. The enthalpies of fusion and melting points of these thioureas are also affected. 1H NMR studies in CDCl3 show the NH′ hydrogen resonance considerably downfield from other resonances in their spectra. 相似文献
156.
Christopher L. Douglas 《Communications in Mathematical Physics》2013,319(2):395-423
We compute the fusion rings of positive energy representations of the loop groups of the simple, simply connected Lie groups. 相似文献
157.
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159.
Fernanda M. de Oliveira Affonso C. Gonçalves Jr Douglas C. Dragunski Mariana G. Segatelli 《International journal of environmental analytical chemistry》2013,93(10):1061-1071
The present paper describes the feasibility of on-line preconcentration of nickel ions from aqueous medium on Ni(II)-imprinted cross-linked poly(methacrylic acid) (IIP) synthesised through a double-imprinting method and their subsequent determination by FAAS. The proposed method consisted in loading the sample (20.0 mL, pH 7.25) through a mini-column packed with 50 mg of the IIP for 2 min. The elution step was performed with 1.0 mol L?1 HNO3 at a flow rate of 7.0 mL min?1. The following parameters were obtained: quantification limit (QL) – 3.74 µg L?1, preconcentration factor (PF) – 36, consumption index (CI) – 0.55 mL, concentration efficiency (CE) – 18 min?1, and sample throughput – 25 h?1. The precision of the procedure assessed in terms of repeatability for ten determinations was 5.6% and 2.5% for respective concentrations of 5.0 and 110.0 µg L?1. Moreover, the analytical curve was obtained in the range of 5.0–180.0 µg L?1 (r = 0.9973), and a 1.64-fold increase in the method sensitivity was observed when compared with the analytical curve constructed for the NIP (non-imprinted polymer), thus suggesting a synergistic effect of the Ni(II) ions and CTAB on the adsorption properties of the IIP. The practical application of the adsorbent was evaluated from an analysis of tap, mineral, lake and river water. Considering the results of addition and recovery experiments (90.2–100 %), the efficiency of this adsorbent can be ensured for the interference-free preconcentration of the Ni(II) ions. 相似文献
160.
Adsorption - The problem of measuring sorption kinetics in microporous adsorbents and distinguishing experimentally between surface resistance and internal diffusion is discussed and reviewed with... 相似文献