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1.
2.
I. K. Andronik V. S. Vavilov Vu Zoan Mien P. G. Mikhalash M. V. Chukichev 《Russian Physics Journal》1987,30(8):702-706
The results are given of studies on the edge emission of undoped and copperdoped ZnTe crystals in the temprature range 4.2–300K. The copper impurity has been found to increase the intensity of the principal edge emission band substantially. Analysis of the structure of this emission band indicated that a temprature below 160K the main role is played by the emission from excitons that are most probably bound in CuZn and LiZn centers while at higher temperatures it is played by emission during the transition of free electrons to these centers. An appreciable role is played over the entire range of temperatures by emission from free electrons with an energy of 13 MeV. The luminescence quenching energy below 160 K has a value of 7 MeV (the binding energy of a bound exciton) and at higher temperatures it is 78 MeV.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 68–73, August, 1987. 相似文献
3.
Kinetics of the hydrogen abstraction reaction (*)CH(3) + CH(4) --> CH(4) + (*)CH(3) is studied by a direct dynamics method. Thermal rate constants in the temperature range of 300-2500 K are evaluated by the canonical variational transition state theory (CVT) incorporating corrections from tunneling using the multidimensional semiclassical small-curvature tunneling (SCT) method and from the hindered rotations. These results are used in conjunction with the Reaction Class Transition State Theory/Linear Energy Relationship (RC-TST/LER) to predict thermal rate constants of any reaction in the hydrogen abstraction class of (*)CH(3) + alkanes. Our analyses indicate that less than 40% systematic errors on the average exist in the predicted rate constants using the RC-TST/LER method while comparing to explicit rate calculations the differences are less than 100% or a factor of 2 on the average. 相似文献
4.
The synthesis of model long-chain hydrocarbons (C13 and C19) carrying a vinyl group and a trichloro- or a triethoxysilyl group at each end is reported. These compounds are suitable for linkage to a hydroxylated silicon surface and at the other end with vinyl group for further functionalization and multilayer formation. 相似文献
5.
Castro C Karney WL Valencia MA Vu CM Pemberton RP 《Journal of the American Chemical Society》2005,127(27):9704-9705
Density functional and coupled cluster calculations show that facile thermal configuration change in [12]annulene occurs via a twist-coupled bond-shifting mechanism. The transition state for this process is highly aromatic with M?bius topology. At the CCSD(T)/cc-pVDZ//BH&HLYP/6-311+G** level, the isomerization of tri-trans-[12]annulene 1a (CTCTCT) to its di-trans isomer 2 (CCCTCT) via such a mechanism has a barrier of 18.0 kcal/mol, in good agreement with earlier experiments. Two other aromatic M?bius bond-shifting transition states were located that result in configuration change for other [12]annulene conformers. This mechanism contrasts sharply with diradical configuration change for acyclic polyenes and with planar bond-shifting mechanisms generally assumed for annulenes. This constitutes evidence that neutral M?bius aromatic annulenes play a role in the dynamic processes of neutral [4n]annulenes. 相似文献
6.
We provide a direct computational proof of the known inclusion
where
is the product Hardy space defined for example by R. Fefferman and
is the classical Hardy space used, for example, by E.M. Stein. We
introduce a third space
of Hardy type and analyze the interrelations among these spaces. We give simple sufficient conditions for a given function
of two variables to be the double Fourier transform of a function in
and
respectively. In particular, we obtain a broad class of multipliers on
and
respectively. We also present analogous sufficient conditions in the case of double trigonometric series and, as a by-product,
obtain new multipliers on
and
respectively. 相似文献
7.
8.
J. L. Vučina 《Journal of Radioanalytical and Nuclear Chemistry》1996,214(1):29-39
The effect of the preparation conditions on the in vitro stability of99mTc (Sn)-pyrophosphate kit solution has been examined. To extend the shelf-life of the preparation, different methods of protection were tested. Nitrogen purging stabilizes the kit for at least 6 h after labeling when the content of99mTc-pertechnetate raises to about 5%. However, this method is ineffective in the presence of hydrogen peroxide. The protecting ability of two chemicals was also determined. Gentisic acid gave good results. In the presence of 50 g of gentisic acid per ml of the kit the content of pertechnetate was 1–2% throughout the examined time interval. To eliminate the influence of hydrogen peroxide (6 g per ml of the kit) about 100 g of gentisic acid is needed. N, N-diphenyl-p-phenylenediamine (DPPD) performs some protecting effect only when used in the samples protected by nitrogen purging. However its protecting ability is lower that in the case of gentisic acid. 相似文献
9.
Nguyen Thanh Long Pham Ngoc Dinh Alain 《Mathematical Methods in the Applied Sciences》1993,16(4):281-295
We study the following initial and boundary value problem: In section 1, with u0 in L2(Ω), f continuous such that f(u) + ? non-decreasing for ? positive, we prove the existence of a unique solution on (0,T), for each T > 0. In section 2 it is proved that the unique soluition u belongs to L2(0, T; H ∩ H2) ∩ L∞(0, T; H) if we assume u0 in H and f in C1(?,?). Numerical results are given for these two cases. 相似文献
10.
In spite of its industrial importance, the detailed reaction mechanism of cyclohexane autoxidation by O2 is still insufficiently known. Based on quantum chemical potential energy surfaces, rate coefficients of the primary and secondary chain propagation steps involving the cyclohexylperoxyl (CyOO) radical were evaluated using multiconformer transition-state theory. Including tunneling and hindered-internal-rotation effects, the rate coefficient for hydrogen-atom abstraction from cyclohexane (CyH) by CyOO was calculated to be k(T)= 1.46 x 10(-11) x exp(-17.8 kcal mol(-1)/ RT) cm3s(-1) (300-600K), close to the experimental data. A "Franck-Rabinowitch cage" reaction between the nascent cyclohexylhydroperoxide (CyOOH) and cyclohexyl radical, products from CyOO + CyH, is put forward as an initially important cyclohexanol (CyOH) formation channel. alphaH abstraction by CyOO. from cyclohexanone was calculated to be only about five times faster than that from CyH, too slow to explain all the observed side products. The a-hydrogen (alphaH) abstractions from CyOH and CyOOH by CyOO. are predicted to be about 10 and 40 times faster, respectively, than the CyOO. +CyH reaction. The very fast CyOO.+CyOOH reaction proceeds through the unstable Cy-alphaH .OOH radical that decomposes spontaneously into the ketone (Q=O) plus the OH radical; the "hot" .OH is found to produce the bulk of the alcohol via a second, "activated cage" reaction analogous to that above. It is thus shown how the very reactive CyOOH intermediate is the predominant source of ketone and alcohol, while it also leads to some side products. The alpha-hydroxycyclohexylperoxyl radical formed during the moderately fast oxidation of CyOH is shown to decompose fast into HO2 + cyclohexanone in a rapidly equilibrated reaction, which constitutes a smaller, second ketone source. These two fast cyclohexanone forming routes avoid the need for unfavorable molecular routes hitherto invoked as ketone sources. The theoretical predictions are supported and complemented by experimental findings. The newly proposed scheme is also largely applicable to the oxidation of other hydrocarbons, such as toluene, xylene, and ethylbenzene. 相似文献