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31.
Jack Harrowfield Dominique Matt 《Journal of inclusion phenomena and macrocyclic chemistry》2004,50(3-4):133-150
The problems involved in identifying and quantifying labile interactions considered to influence complex compound structures are highlighted through the assessment of four different families of metal complexes for which extensive crystallographic data are available. Modification of the charge distribution within a ligand molecule as a result of coordination is one factor with a number of ramifications. A detailed analysis of evidence for both intra- and inter-molecular attractions in dimethylsulfoxide complexes of metal perchlorates is used to provide a basis for the consideration of weak interactions between complex ions involving forces including phenyl-group attractions, hydrogen bonding and cavity inclusion. 相似文献
32.
DongXiangLI WanGuoHOU ShuPingLI MingTuHAO GaoYongZHANG 《中国化学快报》2004,15(2):224-227
The relation of the isoelectric point (IEP) and the point of zero net charge (PZNC) of the hydrotalcite-like compounds was discussed. It was found that the IEP does not equal to the PZNC and the IEP is higher than the PZNC. The structural positive charges existing in the HTlc,which cause the difference between the IEP and the PZNC. The effects of the structural positive charges of the HTlc on its IEP and PZNC are the same as the specific adsorption of metal cations. 相似文献
33.
34.
Two groups of 10 speech-language pathology graduate students were each given 7 weeks of singing lessons to determine whether voice lessons could have an effect on their clinical and perceptual skills. Pre-, mid-, and posttests to measure various skills were designed and implemented. With use of paired sample statistical testing, statistically significant results were obtained. In addition, the subjective responses of the students show that the lessons were effective in improving pitch perception, breath control, and legato production or easy onset. This study supports efforts to integrate curricula in vocal performance and speech-language pathology. 相似文献
35.
Asymptotic chi-squared test statistics for testing the equality of moment vectors are developed. The test statistics proposed are generalized Wald test statistics that specialize for different settings by inserting an appropriate asymptotic variance matrix of sample moments. Scaled test statistics are also considered for dealing with nonstandard conditions. The specialization will be carried out for testing the equality of multinomial populations, and the equality of variance and correlation matrices for both normal and nonnormal data. When testing the equality of correlation matrices, a scaled version of the normal theory chi-squared statistic is proven to be an asymptotically exact chi-squared statistic in the case of elliptical data. 相似文献
36.
R. Gerbaldo G. Ghigo G. Giunchi L. Gozzelino F. Laviano E. Mezzetti 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(3):297-300
We present results from an extended magneto-optical (MO) analysis of two samples cut from high-density pellets of MgB2. The first sample was studied in order to show that no matter how large the sample is and despite the bulk granularity, the
material enters into a critical state in a crystal-like fashion. The second sample was chosen for the quantitative analysis.
A numerical approach based on an inverted 2D Biot-Savart model was used to calculate the current paths across the homogeneous
polycrystalline bulk, as well as in the vicinity and across some morphological defects. Local current densities in the homogeneous
part were estimated as a function of the applied magnetic field at different temperatures, in three regimes: below full penetration,
at full penetration and above full penetration, respectively. A hypothesis of interpretation of the apparent absence of magnetic
granularity inside the polycrystalline microstructure is presented. It is related to a critical state likely reached by a
network of strongly coupled Josephson junctions.
Received 31 May 2001 and Received in final form 5 December 2001 相似文献
37.
Hidetoshi Shimodaira 《Annals of the Institute of Statistical Mathematics》1997,49(3):395-410
The asymptotic error probability of Linhart's model selection test isevaluated, and compared with the nominal significance level. We examine thecase where the expected discrepancies of the candidate models from the truemodel are asymptotically equal. The local alternatives method is employed inthe limiting operation of the asymptotic evaluation. Although the errorprobability under the null hypothesis is actually shown to be equal to orless than the level for most situations, intolerable violations of the errorcontrol are observed for nested models: It is often erroneously concludedthat the smaller model is significantly better than the larger model. Toprevent this violation, a modification of Linhart's test statistic isproposed. The effectiveness of the proposed test is confirmed throughtheoretical analysis and numerical simulations. 相似文献
38.
Long range one-dimensional ordering of lead phthalocyanine monolayer on InSb(1 0 0) (4 × 2)/c(8 × 2)
Sub-monolayer and monolayer of lead phthalocyanine deposited on InSb(1 0 0) (4 × 2)/c(8 × 2) surface have been investigated by scanning tunneling microscopy and low energy electron diffraction. Molecules first adsorb on the indium rows of the (4 × 2)/c(8 × 2) structure in the [1 1 0] direction and diffuse at the surface in order to form two-dimensional islands. The molecule-substrate interaction stabilizes the PbPc molecules on the In rows. It weakens the interaction between molecules located in adjacent rows resulting in numerous gliding planes between the molecular chains, in the direction parallel to the rows. At monolayer completion, a long-range one-dimensional order is adopted by the molecules in the [1 1 0] direction. 相似文献
39.
《Journal of Chemical Sciences》2005,117(5):525-531
The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It
has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated
compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of
the silicon atom for SiH
n
F4−n
and SiH
n
F
5−n
1−
. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the
tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version
of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft
nucleophiles preferably react with SiH
n
F
5−n
1−
, and hard nucleophiles with SiH
n
F4−n
. 相似文献
40.
Poisson回归模型广泛应用于分析计数型数据 ,Dean&Lawless(1989)和Dean(1992 )讨论了非重复测量得到的计数型数据的偏大离差存在性的检验问题 .本文分别利用随机系数模型和对数非线性模型讨论了基于重复测量得到的计数型数据的偏大离差的检验问题 ,得到了检验的score统计量 . 相似文献