Calculation of the Tautomeric Properties of 3‐Formyl‐Tetrinic Acid by the ab initio and DFT Methods

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.     

Automorphisms of the q-deformed algebra suq(1, 1) and d-Orthogonal polynomials of q-Meixner type

Starting from an operator given as a product of q-exponential functions in irreducible representations of the positive discrete series of the q-deformed algebra su_q(1, 1), we express the associated matrix elements in terms of d-orthogonal polynomials. An algebraic setting allows to establish some properties : recurrence relation, generating function, lowering operator, explicit expression and d-orthogonality relations of the involved polynomials which are reduced to the orthogonal q-Meixner polynomials when d=1. If q ↑ 1, these polynomials tend to some d-orthogonal polynomials of Meixner type.     

The spherical limit forn-vector correlations

We investigate then limit of then-vector model single-spin and pairspin correlation functions. In this limit we show that the correlation functions become those of the corresponding spherical model.     

The Impact of the Phenyl Spacer on the Electronic Structure and Spectra of Porphyrin Dimers

Quantum-chemical investigation of the electronic structure and properties of the excited states of porphyrin dimers, in which monomeric subunits are linked by the phenyl spacer, is performed by semiempirical methods. The molecular orbitals of the monomeric subunits are shown to interact with each other via molecular orbitals of the phenyl ring. Comparison of the experimental absorption data and quantum-chemical calculations of electronic absorption spectra for different conformations of Zn-tetraphenylporphyrin dimer is performed and the main conformation of the dimer in a solution at 295 K, in which the planes of tetrapyrrole macrocycles are located at an angle of about 60°, is substantiated.     

On the ν-dimensional one-component classical plasma: The thermodynamic limit problem revisited

We prove theH-stability property and the existence of the thermodynamic limit of the free energy density of the two-dimensional, one-component classical plasma. We give lower and upper bounds on the free energy density in any dimensionv and draw some consequences.     

Observation of a superdeformed band in <Superscript>190</Superscript>Pb

A superdeformed band has been observed in the N = 108 isotope ¹⁹⁰Pb. This is the most neutron-deficient Pb isotope in which superdeformed states have been observed. Several theoretical approaches have predicted that N = 108 will mark the limit of observable superdeformation in the Pb isotopes. The band, which consists of five (possibly six) transitions, is observed to feed at least one isomeric level in its decay to the ground state. This decay pattern supports a spin assignment of 10 for the lowest observed level.     

Dual properties of orthogonal polynomials of discrete variables associated with the quantum algebra <Emphasis Type="Italic">U</Emphasis><Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>(<Emphasis Type="Italic">su</Emphasis>(2))

We show that for every set of discrete polynomials y _n (x(s)) on the lattice x(s), defined on a finite interval (a, b), it is possible to construct two sets of dual polynomials z _k (ξ(t)) of degrees k = s-a and k = b-s-1. Here we do this for the classical and alternative Hahn and Racah polynomials as well as for their q-analogs. Also we establish the connection between classical and alternative families. This allows us to obtain new expressions for the Clerbsch-Gordan and Racah coefficients of the quantum algebra U _q (su(2)) in terms of various Hahn and Racah q-polynomials. Dedicated to the memory of our teacher and friend Arnold F. Nikiforov (18.11.1930–27.12.2005).     

Two-dimensional commensurate soliton structures

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.     

Amplification Coefficient of the Anti‐Stokes Component of Raman Scattering

The theory of intracavity parametric interaction of the components of Raman scattering is developed in the prescribedintensity approximation, which takes into account the reverse reaction of the excited waves to the pumpingwave phase. It is shown that one can substantially improve the conversion efficiency or the amplification coefficient of the antiStokes component by selection of the intracavity geometry, the optimum phase relation between the interacting waves, the pumping level, and the phase mismatch.     

Linear Theory of the Beam-Wave Interaction in the Arbitrary Cylindrical Cerenkov Device

The hot dispersion equation in Cerenkov devices has been derived and analyzed numerically using the self-consistent linear theory. In principle, the linear analysis can be applied to efficiently calculating all kinds of beam-wave interaction in various Cerenkov devices composed of axisymmetric slow-wave structures (SWS) with arbitrary periodic profile. Then the results for Cerenkov devices with three typical SWS profiles are presented.     

On the initial layer solution of the Boltzmann equation with small Knudsen number

We extend our method of systematic removal of secular terms in a singular perturbation treatment of the Boltzmann equation with small Knudsen numbers to the initial layer. The requirement that the solution through the initial layer should connect smoothly to the normal solution removes an ambiguity noted in our previous paper. We show that removal of secular terms improves Grad's solution for the initial layer and reintroduces soundlike modes associated with higher moments, first found by Wang Chang and Uhlenbeck.     

Alpha-decay of neutron-deficient 200Fr and heavier neighbours

A new measurement of the ²⁰⁰Fr -decay half-life, with improved accuracy compared to previous measurements, has been carried out at the Isolde-CERN on-line mass separator. A half-life of 49(4) ms has been obtained, which is substantially different from earlier literature values. For the ¹⁹⁶At daughter decay, a half-life of 389(54) ms and an branching ratio b = 94(5)% were measured. In addition, the half-lives of ^{201, 203, 205}Fr and ^197,199At are reported.     

Converging upper and lower bounds for ground-state energies of atomic nuclei

The production of K⁺-mesons in proton-nucleus collisions from 1.0 to 2.3 GeV is analyzed with respect to one-step nucleon-nucleon (NN NYK⁺) and two-step -nucleon (N K⁺YN) or pion-nucleon (N K⁺Y) production channels on the basis of a coupled-channel (CBUU) transport approach including the kaon final-state-interactions (FSI). Momentum-dependent potentials for the nucleon, hyperon and kaon in the final state are included as well as K⁺ elastic rescattering in the target nucleus. The transport calculations are compared to the experimental K⁺ spectra taken at COSY-Jülich. Our systematic analysis of K⁺ spectra from ¹²C, ⁶³Cu, ¹⁰⁷Ag and ¹⁹⁷Au targets as well as their momentum differential ratios gives a repulsive K⁺ potential of 20±5 MeV at normal nuclear matter density.     

Beta-decay of 71Co and 73Co

A decay spectroscopy study of the neutron-rich cobalt isotopes has been performed using fragmentation of a ⁸⁶Kr³⁶⁺ beam and the new LISE2000 spectrometer at GANIL. For ⁷¹Co and ⁷³Co, the -delayed radiation has been observed for the first time, and the half-lives were found to be 79(5) ms and 41(4) ms, respectively. Features of the decay are discussed qualitatively in terms of nuclear models.     

Neutron and light-charged-particle productions in proton-induced reactions on 208Pb at 62.9 MeV

Neutrons and light charged particles produced in 62.9MeV proton-induced reactions on ²⁰⁸Pb were measured during a single experiment performed at the CYCLONE facility in Louvain-la-Neuve (Belgium). Two independent experimental set-ups were used to extract double differential cross-sections for neutrons, protons, deuterons, tritons, ³He and alpha-particles. Charged particles were detected using a set of Si- Si- CsI telescopes from 25^° to 155^°, by step of 10 degrees. Neutrons were measured using shielded DeMoN counters, liquid NE213 scintillators, at 24^°, 35^°, 55^°, 80^° and 120^°. These data allowed the determination of angle differential, energy differential and total production cross-sections. A comparison with theoretical calculations (MCNPX, FLUKA and TALYS) has been performed. It shows that the neutron and proton production rates are well predicted by MCNPX, using the INCL4 option. All the other codes underestimate the neutron production whereas they overestimate the proton one. For composite particles, which represent 17% of the charged particle total reaction cross-section, neither the shape nor the amplitude of the cross-sections are correctly predicted by the models.     

Updated Analysis of Gallium Chelate and Vanadium Chelate Solutions with 4‐(2‐Pyridylazo)Resorcinol and Xylenol Orange

The characteristic factors of the gallium and vanadium chelates with the ligands 4(2pyridylazo)resorcinol (PAR) and xylenol orange (XO) have been determined with the aid of the principle of correction, which makes it possible to eliminate the influence of the surplus ligand in the solution of its chelate with methane (which makes calculation easier) and thereby provides a more acceptable method in comparison with others. The real molar coefficients of extinction of the chelates Ga and V with PAR and XO have been determined and a detailed calculation of the stoichiometric ratios of chelates has been made. The results have shown that the chelates formed have the following structure: Ga(PAR), Ga(XO), V(PAR)₂, and V(XO).     

High repetition rate CH4 laser

A 16-m CF₄ laser oscillator has operated at 1 kHz in a cooled static cell. Pump energies required from the low pressure, Q-switched, cw discharge CO₂ laser were as low as 60 J. The laser cavity employed a multiple-pass off-axis path resonator in a ring configuration. CF₄ laser power at 615 cm^–1 and a 1-kHz repetition rate exceeded 300 W.     

Levels in <Superscript>127</Superscript>La fed by the <Superscript>127</Superscript>Ce beta-decay

The low-lying levels in ¹²⁷La have been studied through the -decay of ¹²⁷Ce ( T_1/2 = 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.     

Moufang Loops and Integrability of Generalized Lie Equations

Generalized Lie equations (GLE) for linear birepresentations of the analytic Moufang loops are considered. Integrability conditions of GLE are found and presented in closed Lie algebra form.     

Lifetimes of proton unstable states in 113I measured by the particle-X-ray coincidence technique

The -delayed proton decay of ¹¹³Xe was investigated by means of a total absorption -ray spectrometer and a telescope for particle detection. The energy window available for the -delayed proton decay of ¹¹³Xe and the relative branching ratios for proton transitions to the ¹¹²Te states were remeasured. The lifetimes of proton unstable ¹¹³I states populated in the electron capture decay of ¹¹³Xe were determined by means of the particle-X-ray coincidence technique. The results of the lifetime measurements are compared with statistical-model calculations.