Size of the interpolated cation and hole carrier density: two key parameters for the optimisation of colossal magnetoresistive properties of Pr-based manganites

The exploration of the magnetic and transport properties of four series of manganese perovskites, Pr_0.7Ca_0.34−xA_xMnO_3−δ (A=Sr, Ba), Pr_0.7−xLa_xCa_0.3 MnO_3−δ and Pr_0.66Ca_0.34−x Sr_xMnO_3−δ has allowed four phases with colossal magnetoresistive (CMR) properties to be isolated: Pr_0.7Ca_0.25Sr_0.025MnO_3−δ and Pr_0.66Ca_0.26Sr_0.08MnO_3−δ that exhibit a variation of resistance of 2.5. 10⁷% and 10⁹% at μ₀ H=5 T for T=88 K and 50 K respectively, Pr_0.58La_0.12Ca_0.3 MnO_3−δ that exhibits a variation of 6.10⁶% for μ₀ H=5 T at T=80 K and Pr_0.7Ba_0.025Ca_0.275MnO_3−δ for which a resistance variation of 5.10⁹%, at T=50 K, for μ₀ H=5 T is evidenced. for each compound of this series except the barium phase, one observes that the temperature T_max, which corresponds to the resistance maximum on the R(T) curves in zero magnetic field, increases dramatically as the mean size of the interpolated cations increases, and that the CMR effect correlatively decreases dramatically. The comparison of the two series Pr_0.7Ca_0.3−xSr_xMnO_3−δ and Pr_0.66Ca_0.34−xSr_xMnO_3−δ shows also the crucial role of the hole carrier density: for a same mean ionic radius of the interpolated cation T_max is decreased of about 50 K by introducing 0.034 hole per Mn mole.     

Molecular electric field mapping of some anions and cations of 2- aminopurine and 6- thioguanine

Electric fields of the anions, cations and neutral forms of 2-aminopurine and 6-thioguanine have been mapped. Certain important features of the maps are similar to those found earlier in the neutral and ionic forms of adenine and guanine. The computed electric field patterns satisfactorily explain reactive sites and biological activity of the molecules.     

Deposition-evaporation stochastic systems in two and higher dimensions

We study the stochastic dynamics of deposition-evaporation cooperative processes of dimers, trimers, etc., in two- and higher-dimensional lattices. The dimer system in bipartite lattices allows for an exact solution of dynamic correlations and scaling functions by means of a quantum spin equivalence. Autocorrelations exhibit a diffusive asymptotic kinetics and crossovers of different dynamic regimes in highly anisotropic lattices. Monte Carlo simulations combined with finite-size scaling arguments support the validity of the diffusive picture in more general situations. Steady-state coverages and diffusion constants are obtained using mean-field approaches, spin wave calculations, and random walk analyses in nearly jammed configurations.     

Molecular Orbital Calculations on 2, 4, 6-Trinitrotoluene

Three ab initio calculations (HF/6-3IG, HF/6-3IG*, and HF/6-3IG**) on 2,4,6-trinitrotoluene were made, The results compare well with xray data, except dihedral angles of NO₂ relative to the plane of the benzene ring. The deviations are attributed to packing forces and steric effects in the crystal. The most stable structure was a torsional angle 10° of the methyl top with the benzene ring, unlike toluene. The rotational barriers of the methyl top and the 4-nitro group are small. Hydrogen bonding, dipole moments and total atomic charges arc calculated.     

An easy and fast way to determine the enantiomeric purity of substituted cyclanones

The determination of the enantiomeric purity of 2 or 3-substituted cyclanones, particularly cyclohexanones, is conveniently achieved by derivatisation into cyclic aminals with commercially available (R, R)-1,2-diphenylethylenediamine. The derivatisation procedure is directly done into the NMR tube, instantaneously, and ¹³C NMR allows an accurate measure of the ee.     

Photosensitized formation of singlet oxygen by vitamins of the B group

Presented at the XV IUPAC Symposium on Photochemistry, Prague, July 17–22, 1994.     

Amplification of radiation due to the four-photon parametric process in potassium vapor

The results of the experimental investigation of the radiation amplification due to the stimulated four-photon parametric process in potassium vapor are reported. Two cells with active medium (an oscillatoramplifier system) are used in the experiments. The dominating role of IR radiation 6S → 5P (3.66 µm) in the amplification of violet radiation 5P → 4S (0.4 µm) generated due to the parametric process at two-photon excitation 4S → 6S is shown. This role is conditioned by optically pumped stimulated emission (OPSE). Optical conditions for the amplification of a seed radiation are determined in accordance with their intensity and the buffer gas (He) pressure. The problem of the image conversion from the IR to a visible one with quantum efficiency above 100% is discussed.     

Quasi-Symmetric Designs with Good Blocks

The article is concerned with a characterization of quasi-symmetric (QS) designs with intersection numbers 0 and y. It uses the idea of a good block. Such a block G has the property that for any block B with |G ∩ B| = y, every point is on a block containing G ∩ B. It is proved that if a QS design II with intersection numbers 0 and y has a good block, then II must (i) be affine, symmetric, a linear space or (ii) have one of two possible exceptional parameter sets. Only one example is known in case (ii). If all blocks of II are good and II is not a linear space, then it is a projective or affine geometry or it is an extension (in a more general sense than usual) of a projective plane of order y² or y³+ y. © 1995 John Wiley & Sons, Inc.     

Invariants of chaotic Hamiltonian systems

The invariants of chaotic bounded Hamiltonian systems and their relation to the solutions of the first variational equations of the equations of motion are studied. We show that these invariants are characterized by the fact that they either lose the property of differentiability as functions on phase space or that a certain formal power series defined in terms of the derivatives of the invariants has zero radius of convergence. For a specific example, we show that the former possibility appears to apply.