Analysis Of The A11a22 X 11a11 And A 33a22 X 1 electronic transitions in selenocarbonyl difluoride

The absorption spectrum of F2CSe in the 18800-21900 cm-1 region has been recorded at -770 C and 220 C under the conditions of medium resolution. The responsible electronic promotion is TI* + n excitation which leads to 3A2 and lA2 excited states. Progressions in vI', v2', v3" v4' and v4" have been identified in the spectrum and have been analyzed in terms of vibronic transitions between a planar ground state and a nQnplanar excited state. The - 3 - 1 - 1 - 1 origins of the a A2 + X Al and A A2 + X Al systems were assigned to the bands at 19018 cm-l and 19689 cm-l . This has given a singlet-triplet splittl. n g lA2 - 3A2 P f 671 cm -1 The out-of-plane wagging levels were found to be anharmonic. 1 -1 Barrier heights of 2483 cm- and 2923 cm were obtained for the lA2 and 3A2 upper states from a fitting of the energy levels of a Lorentzian-quadratic function to the observed levels in the out-of-plane wagging modes. 1 3 For the A2 and A2 states nonplanar equilibrium angles of 30.10 and 31.40 have been evaluated respectively. i

Estudio electroquímico de la inserción de litio en los vanadatos MxV2O5+x[M=Ni,Zn; x=1,2,3:M=Cd;x=1,2]

Tesis (Maestría en Ciencias con Especialidad en Ingeniería Cerámica) UANL

Nova et Vetera : edición 01, Febrero 1 - 13 de 2011

Periódico de la Universidad del Rosario.

Apostamos por las TIC y por el proyecto 1 x 1 (un ordenador por cada alumno).

Resumen basado en el de la publicación

Analytical functions for the ground state potential surfaces of C3 (X 1 Σ g+) and HCN (X 1 Σ +)

Analytic functions have been obtained to represent the potential energy surfaces of C3 and HCN in their ground electronic states. These functions closely reproduce the available data on the energy, geometry, and force constants in all stable conformations, as well as data on the various dissociation products, and ab initio calculations of the energy at other conformations. The form of the resulting surfaces are portrayed in various ways and discussed briefly.

Compositional control of the electrical transport properties in the new series of thiospinels Ga1-xGexV4S8-delta (0 <=x<=1)

A new series of non-stoichiometric sulfides Ga1−xGexV4S8−δ (0≤x≤1; δ≤0.23) has been synthesized at high temperatures by heating stoichiometric mixtures of the elements in sealed quartz tubes. The samples have been characterized by powder X-ray diffraction, SQUID magnetometry and electrical transport-property measurements. Structural analysis reveals that a solid solution is formed throughout this composition range, whilst thermogravimetric data reveal sulfur deficiency of up to 2.9% in the quaternary phases. Magnetic measurements suggest that the ferromagnetic behavior of the end-member phase GaV4S8 is retained at x≤0.7; samples in this composition range showing a marked increase in magnetization at low temperatures. By contrast Ga0.25Ge0.75V4S8−δ appears to undergo antiferromagnetic ordering at ca. 15 K. All materials with x≠1 are n-type semiconductors whose resistivity falls by almost six orders of magnitude with decreasing Ga content, whilst the end-member phase GeV4S8−δ is a p-type semiconductor. The results demonstrate that the physical properties are determined principally by the degree of electron filling of narrow-band states arising from intracluster V–V interactions.

Predicting the chemical composition of the body and the carcass of 3/4Boer x 1/4Saanen kids using body components

The determination of the chemical composition of body and carcass is important in nutritional and growth regulation studies. The purpose of this study was to develop equations to predict the chemical composition of body and carcass using chemical composition of body components. Twenty 3/4Boer x 1/4Saanen crossbred male kids, weighing from 20 to 35 kg, were used in this study. The empty body chemical composition was measured by grinding all body components and sampling for chemical analyses. The body components used to estimate body and carcass composition were: neck, fore leg, ribs, loin, hind leg, 9-11 th rib section, non-carcass components (head plus feet, organs plus blood, and hide), visceral fat, and kidney fat. The chemical composition of organs plus blood and 9-11 th rib section had the highest precision to estimate percentage of fat, protein, and water in the body (r(2) of 0.94, 0.82, and 0.90, respectively). For carcass composition, the chemical composition of ribs was the best component to predict all carcass chemical components; however, the equations to estimate the percentages of protein and ash showed a low precision (r(2) = 0.48, 0.44, respectively). The 9-11 th rib section was accurate and precise to estimate carcass fat percentage. We concluded the chemical composition of the body of 3/4Boer x 1/4Saanen crossbred male kids was highly correlated with the composition of body parts, specifically organs plus blood and 9-11 th rib section. Further studies should focus on evaluating these body parts for different breeds and genders under different production scenarios. (C) 2007 Elsevier B.V. All rights reserved.

Theoretical study of the structure and stability of NbxOy, and NbxOy+ (x = 1-3; y = 2-5, 7, 8) clusters

Geometric, thermodynamic and electronic properties of cluster neutrals NbxOy and cations NbxOy+ (x = 1-3; y = 2-5, 7, 8) have been characterized theoretically. A DFT calculation using a hybrid combination of B3LYP with contracted Huzinaga basis sets. Numerical results of the relative stabilities, ionization potentials and band gaps of different clusters are in agreement with experiment. Analysis of dissociation channels supports the more stable building blocks as formed by NbO2, NbO2+ NbO3 and NbO3+ stoichiometries. The net atomic charges suggest that oxygen donor molecules can interact more favorably on central niobium atoms of cluster cations, while the interaction with oxygen acceptor molecules is more favorable on the terminal oxygen atoms of neutral clusters. A topological analysis of the electron localization function gradient field indicates that the clusters may be described as having a strong ionic interaction between Nb and O atoms. Published by Elsevier B.V. B.V.

CYCLIC CODES THROUGH B[X], B[X; 1/kp Z(0)] and B[X; 1/p(k) Z(0)]: A COMPARISON

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Constructions of codes through the semigroup ring B[X; 1/2(2)Z(0)] and encoding

For any finite commutative ring B with an identity there is a strict inclusion B[X; Z(0)] subset of B[X; Z(0)] subset of B[X; 1/2(2)Z(0)] of commutative semigroup rings. This work is a continuation of Shah et al. (2011) [8], in which we extend the study of Andrade and Palazzo (2005) [7] for cyclic codes through the semigroup ring B[X; 1/2; Z(0)] In this study we developed a construction technique of cyclic codes through a semigroup ring B[X; 1/2(2)Z(0)] instead of a polynomial ring. However in the second phase we independently considered BCH, alternant, Goppa, Srivastava codes through a semigroup ring B[X; 1/2(2)Z(0)]. Hence we improved several results of Shah et al. (2011) [8] and Andrade and Palazzo (2005) [7] in a broader sense. Published by Elsevier Ltd

Boundary of the rauzy fractal sets in R x C generated by P(x)=x(4)-x(3)-x(2)-x-1

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Boundary of the rauzy fractal sets in ℝ×ℂgenerated by p(x) = x 4- x 3 - x 2 -x- 1

We study the boundary of the 3-dimensional Rauzy fractal ε ⊂ ℝ×ℂ generated by the polynomial P(x) Dx 4-x 3-x 2-x-1. The finite automaton characterizing the boundary of ε is given explicitly. As a consequence we prove that the set ε has 18 neighboors where 6 of them intersect the central tile ε in a point. Our construction shows that the boundary is generated by an iterated function system starting with 2 compact sets.

A new species of Endecous Saussure, 1878 (Orthoptera, Gryllidae) from northeast Brazil with the first X(1)X(2)0 chromosomal sex system in Gryllidae

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)