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91.
Chiral macrocyclic amine 2 was found to be useful as an NMR chiral shift reagent for the determination of the enantiomeric purity and absolute configurations of several kinds of carboxylic acid and amino acid derivatives. 相似文献
92.
Masakazu Nakanishi Tomoko Ogi Yoshio Fukuda 《Journal of Thermal Analysis and Calorimetry》2010,101(1):391-396
We modified a commercially available thermogravimetric analyzer to introduce helium alone or with steam, oxygen or both, atmosphere
of which was controllable to be similar to that in a fixed-bed or an entrained-flow type gasifier, for studying basic properties
of biomass gasification. We also connected it to a gas chromatograph-mass selective detector for identifying materials produced
during the thermogravimetric analyses. Thermogravimetric analyses of Japanese cedar wood and identifications of the produced
materials at around 365 °C were measured as demonstrations. 相似文献
93.
T. Katsumata H. Okada T. Kikuta T. Fukuda 《Applied Physics A: Materials Science & Processing》1987,42(2):103-109
The wavelength dependence and polarization characteristics of the infrared light scattered from an undoped GaAs crystal were investigated in the 90° angle infrared light scattering configuration. The scattering is Rayleigh scattering from scatterers which are always associated with the dislocations, and they are classified into three types,S, L
A
, andL
G
scatterers, according to their polarization characteristics. TheS, L
A
, andL
G
-scatterers are thought to be small As clusters, large As precipitates and large Ga precipitates, respectively. 相似文献
94.
Shigetaka Fukuda 《代数通讯》2013,41(10):3265-3268
95.
Sverine Queyroy Haruki Nakamura Ikuo Fukuda 《Journal of computational chemistry》2009,30(12):1799-1815
This article illustrates practical applications to molecular dynamics simulations of the recently developed numerical integrators [Phys Rev E 2006, 73, 026703] for ordinary differential equations. This method consists of extending any set of ordinary differential equations in order to define a time invariant function, and then use the techniques of divergence‐free solvable decomposition and symmetric composition to obtain volume‐preserving integrators in the extended phase space. Here, we have developed the technique by constructing multiple extended‐variable formalism in order to enhance the handling in actual simulation, and by constituting higher order integrators to obtain further accuracies. Using these integrators, we perform constant temperature molecular dynamics simulations of liquid water, liquid argon and peptide in liquid water droplet. The temperature control is obtained through an extended version of the Nosé‐Hoover equations. Analyzing the effects of the simulation conditions including time step length, initial values, boundary conditions, and equation parameters, we investigate local accuracy, global accuracy, computational cost, and sensitivity along with the sampling validity. According to the results of these simulations, we show that the volume‐preserving integrators developed by the current method are more effective than traditional integrators that lack the volume‐preserving property. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009 相似文献
96.
Akira Tanaka Mitsuhiro Fukuda Hiroyuki Nagai Masayuki Shinohara Shigeharu Onogi 《Journal of Polymer Science.Polymer Physics》1989,27(11):2283-2293
A new apparatus was designed to investigate the dynamic viscoelastic properties of solid polymer materials in the nonlinear viscoelastic region. The apparatus was combined with a birefringence apparatus in such a way that birefringence could be measured simultaneously with stress under oscillatory deformation. The nonlinear viscoelastic behavior of bulk-crystallized high-density polyethylene films was examined. Nonlinearity of mechanical properties became evident around 30°C, while optical properties became markedly nonlinear around 50°C. The nonlinearity of viscoelastic properties changes very little when the films are swollen with tetrachloroethane. It is proposed that disruption of lamellae to crystallites in the drawing process is one of the most important causes of the nonlinear behavior of high-density polyethylene films. 相似文献
97.
We find numerically that a regular array of isolated ring defects can exist as a stable state in a highly chiral liquid crystal confined in a thin cell imposing fixed planar anchoring at the parallel confining surfaces. This peculiar defect structure can be stable when the cell thickness d is around 3/4 of the helical pitch p. A cell of thickness 3p/4 with parallel surface anchoring is incompatible with helical alignment that favors d=mp/2 (with m being an integer). Formation of ring defects can thus be regarded as a result of frustrations between the helical alignment with a specific pitch and the confining surfaces that prevent it. 相似文献
98.
A substitution on 2,2-difluorovinylic carbon was investigated by using ab initio molecular orbital calculations. Three feasible mechanisms, which are the SN1-like, the SN2-type and the addition-elimination mechanisms, were ex- amined for a model borate, 2,2-difluoro-1-mesyloxyvinyl(trimethyl)borate. Four TSs were obtained depending on the position of Li+ around the vinylborate although activation energies in the gas phase are rather high (ca. 30–40 kcal mol−1) in comparison with that expected from the experimental conditions. It was confirmed at the SCRF-IPCM calculations that the solvent effect reduces the acti- vation energy of one SN2-type mechanism very much (4. l kcal mol−1 at the B3LYP/6-31+G*//RHF/6-31+G/s* level of theory) while those for the other mechanisms do not change very much. Therefore, the SN2-type mechanism is applicable to the substitution reaction observed for the vinylborate. 相似文献
99.
The Laser Undulator Compact X-ray source(LUCX) is a test bench for a compact high brightness X-ray generator,based on inverse Compton Scattering at KEK,which requires high intensity multi-bunch trains with low transverse emittance.A photocathode RF gun with emittance compensation solenoid is used as an electron source.Much endeavor has been made to increase the beam intensity in the multi-bunch trains.The cavity of the RF gun is tuned into an unbalanced field in order to reduce space charge effects,so that the field gradient on the cathode surface is relatively higher when the forward RF power into gun cavity is not high enough.A laser profile shaper is employed to convert the driving laser profile from Gaussian into uniform.In this research we seek to find the optimized operational conditions for the decrease of the transverse emittance.With the uniform driving laser and the unbalanced RF gun,the RMS transverse emittance of a 1 nC bunch has been improved effectively from 5.46 πmm.mrad to 3.66 πmm.mrad. 相似文献