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1.
Bingxin LiuYoshio Tatamitani Jun ShimadaTeruhiko Ogata 《Journal of Molecular Spectroscopy》2002,211(1):99-106
The microwave spectrum of the 35Cl and 37Cl isotopic species of 1-chloro-1,1,2-trifluoroethane (HCFC-133b) has been investigated in the frequency region 10 to 50 GHz using a Stark modulation microwave spectrometer. A pulsed jet Fourier transform microwave spectrometer was also used for the measurement of hyperfine splittings. A least-squares analysis of the observed b-type Q- and R-branch transition frequencies gave rotational and centrifugal distortion constants and components of the chlorine nuclear quadrupole coupling constant tensors in the principal axes system as follows: A=4625.161 (3) MHz, B=2004.127 (2) MHz, C=1875.813 (2) MHz, ΔJ=0.144 (9) kHz, ΔJK=1.0748 (8) kHz, ΔK=1.57 (1) kHz, δJ=0.01376 (4) kHz, δK=−0.146 (4) kHz, χaa=−57.958 (10) MHz, χbb=21.231 (11) MHz, and χcc=36.727 (11) MHz for 35ClCF2CH2F species, and A=4607.684 (6) MHz, B=1960.565 (2) MHz, C=1834.823 (2) MHz, ΔJ=0.106 (7) kHz, ΔJK=1.022 (3) kHz, ΔK=1.48 (1) kHz, δJ=0.0142 (2) kHz, δK=−0.18 (2) kHz, χaa=−46.268 (11) MHz, χbb=17.319 (13) MHz, and χcc=28.950 (13) MHz for 37ClCF2CH2F species. The structural parameters are calculated from the observed six rotational constants by assuming the partial structure of ab initio calculation. The electronic properties of the C-Cl bond are evaluated from the observed nuclear quadrupole constants of chlorine. These molecular properties are compared with those of other related molecules. 相似文献
2.
Sub-critical crack growth rates of soda-lime-silicate glass and less brittle glass with different fictive temperatures were compared using the DCDC method under both dry and humid atmospheres in order to investigate the origin of the unique mechanical features of the less brittle glass developed by Ito and his collaborators. In both dry and humid atmospheres, the crack velocity of the soda-lime-silicate glass was slower than that of the less brittle glass. For both glasses, the glass sample with higher fictive temperature showed a slower crack growth rate under both dry and humid atmospheres. These observations can be explained by the tendency for the plastic flow at the crack tip; the soda-lime-silicate glass is expected to show easier plastic flow under tension than the less brittle glass, and also the samples with higher fictive temperatures are expected to show easier plastic flow, leading to greater fracture toughness, KIC, and slower crack growth rate. 相似文献
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Rozics and Johnson's formula is examined and its inconsistency is pointed out. 相似文献
6.
Yosihiko Ogata 《Numerische Mathematik》1989,55(2):137-157
Summary A new method for the numerical integration of very high dimensional functions is introduced and implemented based on the Metropolis' Monte Carlo algorithm. The logarithm of the high dimensional integral is reduced to a 1-dimensional integration of a certain statistical function with respect to a scale parameter over the range of the unit interval. The improvement in accuracy is found to be substantial comparing to the conventional crude Monte Carlo integration. Several numerical demonstrations are made, and variability of the estimates are shown. 相似文献
7.
Thi Thi Nge Naruhito Hori Akio Takemura Hirokuni Ono Tsunehisa Kimura 《Journal of Polymer Science.Polymer Physics》2003,41(7):711-714
A high magnetic field of 5 T was used to fabricate a magnetically aligned, optically anisotropic, liquid‐crystalline chitin/poly(acrylic acid) composite. The aligned mesophase was fixed by photoinitiated free‐radical polymerization. From an examination of polarized optical micrographs and an X‐ray diffraction study, a high degree of orientation of 0.70 was observed for the composite with a higher liquid‐crystalline chitin concentration (10.70 wt %); the orientation was reduced with a decreased chitin concentration at a given acrylic acid concentration. The X‐ray data for the developed composite showed a uniplanar orientation for the chitin crystallites, with its molecular long axes perpendicular to the direction of the magnetic field. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 711–714, 2003 相似文献
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Tokutaro Ogata 《Tetrahedron letters》2007,48(38):6648-6650
Asymmetric intramolecular cyclization of aminoalkenes was catalyzed by a catalytic amount of n-butyllithium, diisopropylamine, and a newly designed chiral bisoxazoline in toluene to produce kinetically controlled exo-cyclized amines with up to 91% ee quantitatively. 相似文献
10.
Yosihiko Ogata 《Annals of the Institute of Statistical Mathematics》1990,42(3):403-433
This paper describes a method for an objective selection of the optimal prior distribution, or for adjusting its hyper-parameter, among the competing priors for a variety of Bayesian models. In order to implement this method, the integration of very high dimensional functions is required to get the normalizing constants of the posterior and even of the prior distribution. The logarithm of the high dimensional integral is reduced to the one-dimensional integration of a cerain function with respect to the scalar parameter over the range of the unit interval. Having decided the prior, the Bayes estimate or the posterior mean is used mainly here in addition to the posterior mode. All of these are based on the simulation of Gibbs distributions such as Metropolis' Monte Carlo algorithm. The improvement of the integration's accuracy is substantial in comparison with the conventional crude Monte Carlo integration. In the present method, we have essentially no practical restrictions in modeling the prior and the likelihood. Illustrative artificial data of the lattice system are given to show the practicability of the present procedure. 相似文献