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81.
A method of variable reduction of the dimensionality of the coupled equations for inelastic scattering is presented, based upon a projection operator P with a restricted range of orbital angular momentum states. For rotational states in the range O?j ?j* and total angular momentum large, the coupled equations have dimensionality (j* + 1) ? N ?(j* + 1)2, where the value of N is controlled by the choice of P. This is in contrast to conventional partitioning techniques which utilize further restrictions on the important molecular rotational states. The equations for the P subspace and its complementary Q subspace are decoupled by an approximation on the equation of motion of Qψscat. Information about scattering into the Q subspace is retained, within this degree of approximation, and is reintroduced at the end of the computation with little additional labor. The theory is developed in terms of atom-rigid-rotor scattering, although addition of vibrational modes would not in any way interfere with the basic techniques used.  相似文献   
82.
The structure of bis(2-pyridine-N-oxide) diselenide was determined by single crystal X-ray diffraction. The compound crystallized in the triclinic system and the structure was solved in the space group . The lattice constants were determined to bea=7.174(2),b=7.176(2),c=11.070(2) , =87.67(2)°, =73.68(2)°, and =89.57(2)°;Z=2,D x=1.906 Mg m–3. The final least squares refinement based on 1942 independent observed reflections yieldedR=0.033,wR=0.044. The Se–Se bond length is 2.326(1) and each Se is coordinated to the O atom of the corresponding N-oxide moiety at a distance of about 2.6 .  相似文献   
83.
Poly(p‐phenylene vinylene) or PPV is gaining increasing importance because of its superior electroluminescent efficiency and electrical conductivity. The most widely followed synthetic route for PPV involves synthesis of a precursor polymer using a sulfonium monomer salt. Previous studies have proven that the monomer salt which contains cyclic sulfonium groups yields better quality PPV than when the monomer containing dialkyl sulfonium groups is used. The structure of PPV synthesized using cyclic sulfonium precursor has not been as widely reported as that synthesized using dialkyl sulfonium monomer. In the current work, the structure of PPV, synthesized using a cyclic viz. tetrahydrothiophenium monomer salt, has been studied in detail using the wide angle X‐ray diffraction (WAXD) technique. The study reveals that even in the cast (unstretched) form, PPV shows considerable biaxial orientation in the plane of the film. This preferred orientation is found to occur during the casting process and is independent of the solvent used and casting substrate. On stretching these films to a final draw ratio of 7 : 1, this biaxial orientation is transformed into uniaxial orientation with nematic ordering of PPV chains along the stretch direction and PPV chains assuming three preferred orientations in the plane of the film. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 605–614, 1999  相似文献   
84.
In this paper we derive decomposition results for the number of customers in polling systems under arbitrary (dynamic) polling order and service policies. Furthermore, we obtain sharper decomposition results for both the number of customers in the system and the waiting times under static polling policies. Our analysis, which is based on distributional laws, relaxes the Poisson assumption that characterizes the polling systems literature. In particular, we obtain exact decomposition results for systems with either Mixed Generalized Erlang (MGE) arrival processes, or asymptotically exact decomposition results for systems with general renewal arrival processes under heavy traffic conditions. The derived decomposition results can be used to obtain the performance analysis of specific systems. As an example, we evaluate the performance of gated Markovian polling systems operating under heavy traffic conditions. We also provide numerical evidence that our heavy traffic analysis is very accurate even for moderate traffic. This revised version was published online in June 2006 with corrections to the Cover Date.  相似文献   
85.
Losartan potassium salt (LSR) is a well-known antihypertensive drug with proven beneficial effects on human health. Its formulation with the non-toxic 2-hydroxypropyl-β-cyclodextrin (2-HP-β-CD) could improve its pharmacological profile. Thus, its molecular interactions are studied using a combination of Differential Scanning Calorimetry (DSC), Nuclear Magnetic Resonance (NMR) and Molecular Dynamics (MD). First, its complexation is shown through Differential Scanning Calorimetry as lyophilization provided distinct thermal properties in comparison to the mixture. The complexation is further proved by utilizing the chemical shift changes in the complexation and T1 values. Furthermore, the reversible favorable complexation was shown by MD calculations. Such physical chemical properties provide evidence that this formulation must be further explored through biological experiments.  相似文献   
86.
The complex trans‐bis(hinokitiolato)copper(II) [systematic name: trans‐bis(3‐isopropyl‐7‐oxocyclohepta‐1,3,5‐trienolato)copper(II); abbreviated name: trans‐Cu(hino)2], [Cu(C10H11O2)2], is a biologically active compound. Three polymorphs of this square‐planar monomer, all with (+sp,−sp) isopropyl substituents, have been reported previously. A fourth polymorph containing (+ac,−ac) isopropyl groups and its chloroform disolvate, [Cu(C10H11O2)2]·2CHCl3, both exhibiting nonmerohedral twinning and with all Cu atoms on centers of crystallographic inversion symmetry, are reported here. One of the differences between all of these polymorphs is the relative conformation of the isopropyl groups with respect to the plane of the molecule. Stacking and Cu...olefin π distances ranging from 3.214 (4) to 3.311 (2) Å are observed, and the chloroform solvent molecules participate in bifurcated C—H...O hydrogen bonds [H...O = 2.26–2.40 Å, C...O = 3.123 (5)–3.214 (5) Å, C—H...O = 127–151° and O...H...O = 74°].  相似文献   
87.
Anionic polymerization high-vacuum techniques and appropriate multifunctional initiators/additives were employed for the synthesis of novel star structures of poly(n-hexyl isocyanate) (PHIC). A new trifunctional initiator prepared by the reaction of tris(4-isocyanatophenyl)methane with benzyl sodium was used for the synthesis of three-arm star PHIC. Divinyl benzene and the core-first or the arm-first/core-first (in-out) approach were utilized for the synthesis of multiarm star homopolymers, (PHIC)n, star-block copolymers, (PHIC-b-PI)n, and miktoarm star copolymers, (PS)n(PHIC)n, where PS is polystyrene. The molecular characteristics obtained by size-exclusion chromatography, equipped with refractive index and two-angle light scattering detectors, nuclear magnetic resonance, spectroscopy, and dilute solution viscometry showed that well-defined structures were synthesized in this study. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 2387–2399, 2007  相似文献   
88.
The performance of T(2)-weighted spin-echo version of echo planar imaging (SE_EPI), conventional spin echo (SE) and fat-suppressed turbo spin-echo (TSE_SPIR) sequences for the detection of focal liver lesions was evaluated. Twenty patients that were included in our study, had CT examinations prior to the MR study and were scheduled for surgery for removal of liver lesions. All patients had intraoperative sonographic examinations. Qualitative and quantitative analysis of the images was performed. Overall image quality of SE_EPI sequences was better than SE (p<0.001) and similar to TSE_SPIR sequences. There were fewer motion and ghost artifacts on SE_EPI and TSE_SPIR images compared to SE images (p<0.001). Susceptibility artifacts were statistically equivalent on SE_EPI and SE images (p<0.001) while chemical shift artifacts were equally observed on SE and SE_EPI sequences. Overall image quality of EPI-SE and TSE_SPIR sequences was better compared to SE sequences. There was no significant difference in the number of lesions detected by each of the three sequences. Quantitative analysis showed that liver/lesion contrast-to-noise ratio (CNR) and signal-to-noise ratio (SNR) of liver, lesion, spleen was higher on TSE_SPIR sequences (p<0.001) while SE_EPI and SE sequences showed non-significant differences (p>0.05). SE_EPI sequences of the liver resulted in fewer artifacts and shorter acquisition times than SE sequences. They provide a diagnostic performance similar to TSE_SPIR and better than that of SE sequences.  相似文献   
89.
We investigate the importance of metal-induced gap states for the tunneling of metal electrons through epitaxial insulator films. By introducing an imaginary part kappa to the wave vector in order to describe the decay of the wave function in the insulator, we obtain the complex band structure in the gap region. The spectrum of the decay parameters kappa is calculated for the semiconductors Si, Ge, GaAs, and ZnSe. In most cases, for large enough film thicknesses the tunneling is dominated by states of normal incidence on the interface. Possible exceptions are considered. Based on our conclusions, we discuss the spin-dependent tunneling in Fe/semiconductor/Fe (001) junctions.  相似文献   
90.
We prove that the multiplicity of an arbitrary dominant weight for an irreducible highest weight representation of the affine Kac–Moody algebra A (1) r is a polynomial in the rank r. In the process we show that the degree of this polynomial is less than or equal to the depth of the weight with respect to the highest weight. These results allow weight multiplicity information for small ranks to be transferred to arbitrary ranks.  相似文献   
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