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11.
从现有的PCDFs分子的正辛醇 /水分配系数 (logKow)实验数据出发 ,建立定量结构 性质关系方程(QSPR) .采用G98W程序包中的PM3方法对 13 5个多氯代二苯并呋喃 (PCDFs)分子和二苯并呋喃进行了优化计算 ,作业命令为 #pPM3optfreqscf(conver =9) ,以计算所得的分子轨道能量、碳原子电荷作为PCDFs分子结构描述符 ,运用多元线性回归技术建立了PCDFs的logKow与分子结构描述符的四元方程 ,最优相关系数为 0 .95 0 7,标准偏差为 0 .173 7,经检验该模型的稳健性好 ,并对未有实验数据的 85个PCDFs的logKow进行预测 相似文献
12.
O. Perru F. Ibrahim O. Bajeat C. Bourgeois F. Clapier E. Cottereau C. Donzaud M. Ducourtieux S. Galès D. Guillemaud-Mueller C. Lau H. Lefort F. Le Blanc A. C. Mueller J. Obert N. Pauwels J. C. Potier F. Pougheon J. Proust B. Roussière J. Sauvage O. Sorlin D. Verney 《Physics of Atomic Nuclei》2003,66(8):1421-1427
The PARRNe facility has been used to produce neutron-rich isotopes 83,84Gaby the ISOL method. Their decay has been studied, and β-γ coincidence and γ-γ coincidence data were collected as a function of time. The first two excited levels in 83Ge and the first excited level in 84Ge have been measured for the first time. 相似文献
13.
Flowing and static gas-phase samples of HNO3 in O2 and N2 were analyzed by long-path ultraviolet/visible (UV/VIS) spectroscopy to reveal the presence of both NO2 and NO3, the concentrations of which were calculated using differential absorption cross sections. NO2 is produced predominantly by the heterogeneous decomposition of HNO3, whereas NO3 is generated in the gas phase by the thermal decomposition of N2O5, a product of the self-disproportionation of liquid HNO3. © 1993 John Wiley & Sons, Inc. 相似文献
14.
We consider an optimal growth (multi-sector) model with nonconvex technology. Using the Clarke results on generalized gradients, we prove that the value function has left and right derivatives with respect to the initial capital stock, without requiring supermodularity assumptions. 相似文献
15.
R. Grac M. Pugnet J.H. Collet B. Lambert C. De Matos H. L'Haridon A. Le Corre J.O. White 《Superlattices and Microstructures》1997,22(4):505-509
We report new results on the diffraction properties of photoinduced gratings in InGaAs/InGaAsP MQW structures. The original feature of this device is that the QWs are enclosed in an asymmetric Fabry–Perot microcavity in order to increase the diffraction efficiency. We observe oscillations in the diffraction efficiency due to resonant effects in the microcavity. The experimental spectra are compared with theory. Diffraction efficiency at 1.55 μm attains a maximum value of 2.7% at a write beam fluence of 260 μ J cm−2, and then decreases at higher fluences. We explain this phenomenon by an absorption saturation at high excitation. 相似文献
16.
In this paper we propose a general integration scheme for a Multi-Criteria Decision Making model of the Multi-Attribute Utility
Theory in Constraint Programming. We introduce the Choquet integral as a general aggregation function for multi-criteria optimization
problems and define the Choquet global constraint that propagates this function during the Branch-and-Bound search. Finally the benefits of the propagation
of the Choquet constraint are evaluated on the examination timetabling problem. 相似文献
17.
The rutile TiO2(1 1 0) surface is a highly anisotropic surface exhibiting “channels” delimited by oxygen rows. In previous experimental and theoretical DFT works we could identify the molybdenum adsorption sites. They are located inside the channels. Moreover, experimental studies have shown that during subsequent annealing after deposition, special molybdenum nano structures can be formed, especially two monolayer high pyramidal chains of atoms.In order to better understand the dynamics of nano structure formation, we present a kinetic Monte Carlo study on diffusion and adsorption of molybdenum atoms on a TiO2(1 1 0) surface. A quasi one-dimensional lattice gas model has been used which describes the possible adsorption sites of a Mo atom in a single channel of the surface. The atomic positions of a 1.5 monolayer thick Mo film formed of pyramidal chains define the lattice sites of the model. Thereby the formation of three-dimensional clusters could be studied. Here we have studied the cluster formation as a function of parameters that can be controlled in a growth experiment by physical vapor deposition: deposition and annealing temperature, flux and total amount of deposited Mo. Good qualitative agreement with recent experiments is obtained. 相似文献
18.
J. -Ph. Jay J. Ben Youssef H. Le Gall 《Journal of magnetism and magnetic materials》2002,240(1-3):287-290
The dynamic response of trilayer magnetoresistive permalloy/Cu/Co films was studied by high-frequency permeability spectra measurements. The resonance frequency is shown to depend on the interlayer copper thickness. This dependence is related to exchange coupling between permalloy and cobalt and the interaction field is estimated using the Landau–Lifschitz–Gilbert model. 相似文献
19.
G. M. Luke L. P. Le B. J. Sternlieb Y. J. Uemura J. H. Brewer R. Kadono R. F. Kiefl S. R. Kreitzman T. M. Riseman C. E. Stronach M. Davis S. Uchida H. Takagi Y. Tokura Y. Hidaka T. Murakami E. A. Early J. T. Markert M. B. Maple C. L. Seaman 《Hyperfine Interactions》1991,63(1-4):311-317
We report muon spin relaxation/rotation measurements on sintered powder samples of Nd2−x
Ce
x
CuO4−y
and a large single crystal of Nd2CuO4−y
. We find an electronic phase diagram which is quite similar to that of hole-doped superconductors such as La2−x
Sr
x
CuO4−y
, although the doping of electrons into the system is less efficient in destroying the static moments on the copper spins.
Static magnetic order in Nd2CuO4−y
appears below about 250 K, and two spin reorientations are seen atT=75 K andT=35 K. Measurements of the magnetic field penetration depth have been unsuccessful due to the rare-earth paramagnetism of
these materials. 相似文献
20.
G. M. Luke L. P. Le B. J. Sternlieb Y. J. Uemura J. H. Brewer R. Kadono R. F. Kiefl S. R. Kreitzman T. M. Riseman C. L. Seaman Y. Dalichaouch M. B. Maple J. D. Garrett 《Hyperfine Interactions》1991,64(1-4):517-522
We have performed both zero field and high transverse field measurements at dilution refrigerator temperatures on a number of heavy electron systems, examining the superconducting and magnetic properties of these interesting materials. Among the materials studied to date are UBe13, URu2Si2 and U6Fe. The magnetic field penetration depth in the superconducting state of UBe13 is greater than 10000 Å, as no increase in the transverse field relaxation rate is observed belowT c . A sharp increase in the precession frequency is seen, starting atT c . This frequency shift shows little temperature dependence at low temperature; we found no clear evidence for unconventional superconductivity in this material. Zero field measurements in URu2Si2 show the weak antiferromagnetic transition at 17.5 K. Finally, we we found no clear evidence for unconventional superconductivity in this material. Zero field measurements in URu2Si2 show the weak antiferromagnetic transition at 17.5 K. Finally, we have observed relaxation in high transverse field due to the formation of a flux lattice in U6Fe, a material where the electron effective mass is rather lighter than in other heavy fermion systems. The relaxation exhibits a sharp onset atT c=3.9 K, and is flat at low temperatures as expected for a conventional superconductor. 相似文献