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991.
The theory for the calculation of the frequency-dependent hyperpolarizabilities β(?2ω; 0, ω), β(?ω; 0, ω), and β(0; ω, ?ω) is discussed. New relations between these tensors are derived for those wave functions that obey the time-dependent Hellmann–Feynman theorem (e.g., the self-consistent field [SCF] or the exact wave function). Using second-order Møller–Plesset perturbation theory (MP2), expressions are obtained for the hyperpolarizabilities in terms of derivatives of appropriately defined linear polarizability tensors with respect to a static electric field. Results are presented for ammonia and formaldehyde for the optical Kerr effect and for secondharmonic generation. These results indicate that it is desirable to determine the frequency-dependent contribution to the hyperopolarizability at the MP2 rather than the SCF level of theory, in cases where the static hyperpolarizability has a large contribution from electron correlation and/or where the frequency-dependent contribution may be more significant, such as for secondharmonic generation. 相似文献
992.
993.
Ferric ferrocyanides synthesized from different sources of ferric cations and ferrocyanide anions and those derived from ferrous ferricyanide, ferrous ferrocyanide and ferric ferricyanide have been studied using Mössbauer and XRD techniques. Structural information of the effect of the provenance on the properties of the final compound is obtained. Significant correlations between isomer shift and quadrupole splitting of inner and outer iron cations have been observed. 相似文献
994.
An interlaminar-shear-stress analysis developed earlier by Tsai et al. (1990, Micro-cracking-Induced Damage in Composites) for a [φm/θn], bi-directional composite laminate is used to solve the case of a cross-ply [0m/90n]x laminate with the 90° layer only or both layers cracked under pure shear loading. Strains, forces and laminate shear modulus reduction due to matrix cracking were obtained. Experimental results for shear modulus as a function of crack densities were obtained by a simple shear test and they agree very well with the theoretical prediction. 相似文献
995.
Techniques of uniformization are used to prove that it is not consistent that the Whitehead groups of cardinality ℵ1 are exactly the strongly ℵ1-free groups. Some consequences of the assumption that every strongly ℵ1-free group of cardinality ℵ1 is Whitehead are derived. Other results about uniformization are also proved.
Research partially supported by NSERC grant #9848.
Research partially supported by the BSF. The authors thank Rutgers University for its support. Publication #441. 相似文献
996.
997.
998.
Christian R. Noe M. Knollmüller K. Dungler C. Miculka P. Gärtner 《Monatshefte für Chemie / Chemical Monthly》1991,122(8-9):705-718
Summary Acetals3 and4 of alkylthienylcarbinols1 were prepared using an enantiomerically pure lactol2. In the key step these compounds were desulfurized. After deprotection the target compounds7 andent-7 were obtained.
Herrn Prof. Dr. H. Oelschläger zum 70. Geburtstag gewidmet 相似文献
999.
A 480 L evacuable reaction chamber, equipped with FT-IR spectroscopy on-line and ion chromatography off-line, has been used to study the gas phase reaction between the nitrate radical, NO3, and the reduced organic sulphur compounds CH3CH2SH, (CH3CH2)2S, (CH3CH2)2S2, and CH3CH2SCH3 in air. The products CH3CH2SO3H, SO2, H2SO4, CH3CHO, and CH3CH2ONO2 were identified and quantified in the reactions of the first three compounds, CH3CH2SH, (CH3CH2)2S, and (CH3CH2)2S2. The reaction products were CH3CH2SO3H, CH3SO3H, SO2, H2SO4, CH3CHO, and CH2O in the reaction of CH3CH2SCH3. On the basis of identified reaction products and intermediates observed in the infrared spectra, mechanisms are proposed for the reactions between the NO3 radical and the four reduced organic sulphur compounds. The results of this study, together with those from previous experiments performed in this laboratory on CH3SCH3, CH3SH, and CH3SSCH3 lead to the conclusion that all these species, in the reaction with the NO3 radical, follow a similar degradation mechanism producing SO2, H2SO4, R? SO3H, R? CHO, and R? CH2ONO2, as the main reaction products. The inital step of the reaction of NO3 with R? S? R and R? S? H type (R = CH3, CH2CH3) reduced organic sulphur compounds was found to be H-atom abstraction, probably after the formation of an initial adduct. For the reaction between NO3 and R? S? S? R type compounds, evidence for an addition-decomposition reaction, as the initial steps, was obtained. R? S·, R? S(O)·, and R? S(O)2· appear to be formed as intermediates in all the reactions. © John Wiley & Sons, Inc. 相似文献
1000.
Magnetization reversal processes by a switching field in single-domain nano-sized magnetic particles in the presence of a small transverse non-static bias field are studied. Applying an oscillating bias field instead of a static field, the reversal time becomes much shorter when the switching field is slightly stronger than the effective anisotropy field. A pulsed bias field of a suitably chosen duration in the nanosecond scale is found to induce a rapid switching, even when the switching field is smaller than the anisotropy field. The dependence of the reversal time on the frequency of an oscillating bias field and the duration of a pulsed bias field are studied. The present work thus complement the earlier studies on switching in the presence of a static bias field. 相似文献