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1.
We have carried out a nonempirical quantumchemical calculation with full optimization of the geometry of all theoretically possible tautomeric forms of 3formyltetrinic acid (FTRA) according to the Møller–Plesset secondorder perturbation theory with the use of a 6–31G(d) double zeta basis set. The correlation corrections to the total energy of molecules for optimized geometric configurations were calculated in the 631G(d,p) basis. All the possible tautomeric forms of FTRA and the harmonic vibrational frequencies were also calculated within the density functional theory (DFT) with the use of the Perdew–Burke–Ernzerhof (PBE) functional in a threeexponent basis. It is shown that FTRA in vapors (in the perfect gas approximation) exists in the form of a mixture of three enol forms, among which two exoforms predominate. The frequencies and forms of normal vibrations for each cisenol tautomer in the region of vibrations of ketogroups and double bonds differ widely, which permits identification of the tautomers present in the mixture. The possible mechanisms of enolenol transformations of 3acyltetrinic acids are discussed.  相似文献   

2.
The low-lying levels in 127La have been studied through the -decay of 127Ce ( T1/2 = 29s) produced by bombarding a natMo target with a 185-MeV 35Cl beam. Reaction products were on-line mass-separated, and -ray singles and - coincidence measurements were performed. Conversion electrons were also measured and multipolarities of transitions have been derived. The half-life of the 210.9-keV level was determined to be (1.9±0.3)ns by the - delayed coincidence technique. The level scheme obtained has been compared with calculations based on the Nilsson model.  相似文献   

3.
The collective structures of 131Cs have been investigated by in-beam -ray spectroscopic techniques following the 124Sn (^11B , 4n) reaction at a beam energy Elab = 57MeV. The previously established rotational bands, built on g7/2, d5/2 and the unique-parity h11/2 orbitals, have been extended and evolve into new bands involving rotationally aligned (h11/2)2 and (h11/2)2 quasiparticles. In addition, a new multiquasiparticle band based on the g7/2 g7/2 h11/2 configuration has also been observed. Theoretical interpretations for the assigned configurations are discussed in the framework of Total Routhian Surface (TRS) and Tilted Axis Cranking (TAC) model calculations. TAC model calculations predict a decrease in the B(M1) values with increasing rotational frequency for the g7/2/d5/2 (h11/2)2 and h11/2 (h11/2)2 bands, thus indicating a magnetic rotation character for these bands.  相似文献   

4.
The --decay of 147Cs to 147Ba has been studied by means of - and X-ray spectroscopy. A new level scheme of 147Ba is significantly modified and extended in comparison to the one previously reported. The Advanced Time-Delayed (t) method has been applied to measure half-lives of the 46.2 and 85.4 keV levels in 147Ba yielding T1/2 of 510(80) ps and 370(100) ps, respectively. The lifetime results combined with the deduced internal conversion coefficients allowed to assign M1 multipolarity to three transitions. The B(M1) values obtained for the 39.2, 46.2 and 85.4 keV transitions range from 0.017 to 0.043 W.u. and represent typical B(M1) strength in the Ba-Er region. Model calculations using a shell correction approach with the axially deformed Woods-Saxon potential predict for 147Ba an octupole deformed ground state with 3 = 0.11.  相似文献   

5.
The high-spin states of 93Mo have been studied by a 82Se( 16O, 5n) 93Mo reaction at a beam energy of 100 MeV using techniques of in-beam -ray spectroscopy. Measurements of -t, --t coincidences, -ray angular distributions and -ray linear polarizations were performed. The high-spin isomer was found as a (39/2-) state at about 9.7 MeV. The near-yrast states in 93Mo were interpreted using the weak-coupling picture of a d5/2 neutron to a neutron magic core nucleus 92Mo.  相似文献   

6.
We construct explicitly three-dimensional localized solutions of the free Maxwell's equations with a phase expi(k x - t) which move like relativistic particles. The total field energyE of the moving lump is proportional to the frequency and its momentumP is proportional to the wave vectork, withE 2 =P 2 +M 2. Further, if the angular momentum is different from zero, thenE =. These solutions thus model the wave-particle duality of quantum particles.  相似文献   

7.
A simple quark pair creation model is introduced to study exclusive decays of {c_J} into baryon-antibaryon pairs. With this simple model, some exclusive decay processes, for example, {c0} B¯ (B = ,0,-) are investigated and their decay widths are evaluated by inclusion of the properties of outgoing baryons, and the results show that the strengthened decay channels {c_J} ¯(J = 0, 2) are easily understood by considering only the color singlet contribution of P-wave charmonium.  相似文献   

8.
Prompted by a recent article of Chakravarty, we reexamine theO(N) vector model with twisted boundary conditions ind dimensions in the various frameworks of the =d–2 expansion, the =4–d expansion, and the large-N expansion. These continuum models describe the physics below the critical temperatureT c and nearT c of a latticeO(N) spin model. We determine the effect of the twisting on finite-size scaling functions, for various geometries.On leave from G. Nadjakov Institute of Solid State Physics, 1784 Sofia, Bulgaria.  相似文献   

9.
We investigated fluorescence and fluorescence excitation spectra of five substituted diphenylpolyenes with the number of double bonds in the chain n = 2 or n = 3 and substituents NO2, N(CH3)2, and NH2 in different media (toluene and noctane) at low (77 and 4.2 K) temperatures. The duration of fluorescence () and the quantum yield of fluorescence () of the four compounds investigated were measured at room temperature. The influence of the electron donoracceptor interaction in one of the compounds on its spectralluminescent properties has been analyzed.  相似文献   

10.
A phase diagram of pinned soliton structures in two dimensions has been found for a repulsive interactionU(x) between solitons withU(x)>0. The critical fugacity of the commensurate soliton structure is shown to be proportional toU(l), wherel is the period of this structure.  相似文献   

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