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181.
182.
Calculations are performed, using a basis of two-center functions described previously, for excited states of the following three-and four-electron compounds: H2
–, He2
+, He2, Li2
+2. High efficiency is demonstrated for the frozen ionic core approximation and the nonorthogonal orbital method in such calculations. For four-electron systems the practical feasibility of the frozen hybrid core approximation is demonstrated.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 53–56, August, 1987. 相似文献
183.
K. C. Kumara Swamy E. Balaraman M. Phani Pavan N. N. Bhuvan Kumar K. Praveen Kumar N. Satish Kumar 《Journal of Chemical Sciences》2006,118(6):495-501
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated
acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature
of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction. 相似文献
184.
Applied Magnetic Resonance - We examined by electron spin resonance (ESR) spectroscopy the thermal decay of radicals as induced by γ-irradiation on pepper. Upon irradiation, the satellite... 相似文献
185.
A nonlinear (in the cubic approximation) relaxation equation of state is derived for a rod containing cracks partially filled with an incompressible viscous liquid. The nonlinear effects of the self-action and interaction of low-and high-frequency longitudinal elastic waves propagating in such a rod are studied for the cases of identical and size-varied cracks. Linear and nonlinear acoustic parameters characterizing the self-action and interaction of elastic waves in a cracked rod are determined. 相似文献
186.
We describe in detail fundamental properties of continuity modules of various orders in the spaces L
p of functions defined on a finite segment. We establish some general estimates of seminorms in terms of continuity modules with the best known constants. An example of application of these results to the best approximations is considered. Bibliography: 32 titles. 相似文献
187.
S. Szegedi P. Raics M. Fayez-Hassan 《Journal of Radioanalytical and Nuclear Chemistry》2004,260(2):429-433
Considering the importance of the X-ray production cross sections for the determination of the element concentrations in a
given material, we have measured them experimentally for Al Si, Sc, Ti, V, Fe, Co, Ni and Cu bombarded by protons with energies
ranging from 40 to 180 keV.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
188.
We study nonlinear dynamics of optical pulse propagation in the spectral region inside the polariton gap. It is shown that the Kerr nonlinearity can lead to formation of solitary waves in this region of frequencies. 相似文献
189.
V. A. Nadtochenko A. S. Lobach F. E. Gostev O. M. Sarkisov D. O. Shcherbinin E. D. Obraztsova 《JETP Letters》2004,80(3):176-180
The dynamics of the photoinduced differential absorption and excited-state bleaching spectra of single-walled carbon nanotubes suspended in a micellar solution were studied in the spectral range from 40 to 1000 nm within a time interval from 70 fs to 150 ps under excitation by 50-fs pulses with photon energies 2 and 4 eV. The bleaching and absorption bands were observed in the spectra; the positions of the bleaching peaks were independent of the photon energy of the exciting femtosecond pulse in the range 2–4 eV. It was established that, for delay times shorter than 1 ps, the shape of the differential spectrum of excited nanotubes coincided with the shape of the second derivative of the absorption spectrum of unexcited nanotubes in the frequency range of exciting pulse above 18000 cm?1 (the range of absorption bands of metallic nanotubes). In the frequency range below 16000 cm?1 (the range of absorption peaks of semiconducting nanotubes), the bleaching peaks in the differential spectrum of excited nanotubes undergo a high-frequency shift of 200–300 cm?1 with respect to the second-derivative spectrum of unexcited nanotubes. The excited-state relaxation rate constants were measured. They are well approximated by the exponential dependences and depend on the probe-pulse wavelength. An assumption was made about the nature of the observed spectra of excited nanotubes and about the excitation relaxation. 相似文献
190.
Total internal reflection technique is examined critically for the measurement of apex angle of the prism. Recognition of the critical boundary completely specifies the apex angle ‘A’ of the prism by keeping constant the ratio of refractive index of sample fluid (n1=1.4) to that of glass (n2=1.7). Recording of observations in the laboratory is dependent upon whether the apex angle ‘A’ of prism is greater than or less than or equal to critical angle ‘rc’. The minimum value of error function ‘χ’ in the proximity of Abbe angle explain the choice of Abbe type instruments and shown invariant by relating positive ‘+’ and the negative angle of emergence ‘−’. Using ray-tracing technique, an expression for the length of the critical boundary ‘l’ is derived and is shown as a measure of the apex angle ‘A’ of the prism.
The choice of the realistic grazing condition leads us to two turning points for which error function ‘χ’ is minimal and yields appropriate option of the measurement of apex angle ‘A’ of the prism. It is further shown that the small error ‘ζ’ crept in the apex angle ‘A’ of the prism can lead to a significant error in the design of Pulfrich type instruments.
Experimental measurements are in-line with the predictions made. 相似文献