PICVib: An accurate,fast, and simple procedure to investigate selected vibrational modes at high theoretical levels

A new approach Procedure for Investigating Categories of Vibrations (PICVib) for estimating vibrational frequencies of selected modes using only the structure and energy calculations at a more demanding computational level is presented and explored. The PICVib has an excellent performance at only a small fraction of the computational demand required for a complete analytical calculation. The errors are smaller than ca. 0.5% when DFT functionals are combined with high level ab initio methods. The approach is general because it can use any quantum chemical program and electronic structure method. It is very robust because it was validated for a wide range of frequency values (ca. 20–4800 cm^–1) and systems: XH₃ (D_3h) with X = B, Al, Ga, N, P, As, O, S, and Se, YH₄ (D_4h) with Y = C, Si, and Ge, conformers of RDX, S_N2 and E2 reactions, [W(dppe)₂(NNC₅H₁₀)] complex, carbon nanotubes, and hydrogen‐bonded complexes including guanine‐cytosine pair. © 2012 Wiley Periodicals, Inc.     

Synthesis of Ultra-Fine Columbite Powder MgNb2O6 by the Polymerized Complex Method

Pure MgNb₂O₆ powders with high specific surface area and high crystallinity have been successfully synthesized by the Polymerized Complex (PC) Method. A solution of water, citric acid, ethylene glycol and niobium and magnesium ions, was polymerized at 130°C by the water elimination and was calcined at 400°C for 2 h. The precursor formed was calcined at temperatures from 700°C to 1000°C in air to obtain the columbite phase. Thermal analysis, Raman spectroscopy, x-ray diffraction, adsorption/desorption hysteresis and scanning electron microscopy were used to investigate the polymer decomposition and the columbite phase evolution. No evidence for phase separation of crystalline MgCO₃ and Nb₂O₅ in Raman spectra and x-ray diffraction pattern as distinct intermediates were found, and the MgNb₂O₆ probably is formed through a single-step decomposition of oxycarbonate intermediate, as other double oxide synthesized by the PC Method, as indicated by the thermal decomposition of the precursor.     

Theoretical studies on microscopic and macroscopic nonuniformities in electric-discharge-excited XeCl lasers

The satbilit r of the pumping discharge for XeCI (Ne/Xe/HCI) lasers is investigated by using different one-dimensional models, considering both bulk discharge instabilities and filamentary ones. It is found that the bulk stability in a XeCl laser discharge can he improved, under certain conditions, due to the vihrational excitation of HCl molecules: this effect is studied by using different models for the HCl vihrational kinetics. It is established that the very short instability time found in experiments cannot he explained as a result of hulk instability of the discharge. On the other hand, a satisfactory comparison with experiments can he obtained by adding to the model a simplified microinstability which develops in the discharge.     

MiniMax: What has been learned thus far

Summary A small experiment, ?MiniMax?, has been set up in the C0 intersection region of the Fermilab Tevatron to seek evidence for disoriented chiral condensates and to study other forward physics phenomena. The experiment consists of a proportional wire chamber telescope accompanied by scintillation (trigger) counters, a lead converter, and followed by an electromagnetic calorimeter. The solid angle accepted is a cone centered at pseudorapidity (η) of 4.1 and of radius (in η-ϕ space) of about 0.6. Over 2.5 million events thus far have demonstrated the successful operation of the apparatus, however to date the analysis has not progressed sufficiently to permit any conclusions concerning disoriented chiral condensates. presented byL. W. Jones Paper presented at the Special Session on very high-energy cosmic-ray interactions (superfamilies) of the XXIV International Cosmic-Ray Conference, Rome, August 28–September 8, 1995.     

Sulla rappresentazione di elementi differenziali

Sunto Per gli E₂ di un piano e di dato centro e per gli E₃ di un piano per un dato E₁ è data una rappresentazione analitica mediante parametri omogenei la quale permette un'interpretazione dei punti di chiusura della varietà rappresentativa degli elementi regolari mediante elementi non regolari diversa da quelle finora considerate. A Enrico Bompiani in occasione del suo giubileo scientifico     

A model for inclusive production from high-energy hadron-nucleus interactions

It is shown that all aspects of the data on inclusive single-particle production from nuclei can be understood in terms of a model in which the interaction with the nucleus occurs through one or more elastic q-q scatterings. Successive scatters areassumeed to be mostly incoherent. No cascading occurs because “dressing” of the scattered quarks does not take place until after the quarks leave the nucleus.     

Development of SnO2/Sb-based ceramic pigments

The color efficiency of ceramic glaze blue pigments obtained by the Pechini method was presented in this work. The fired pigments and enameled samples were characterized by thermogravimetry (TG) and differential thermal analysis (DTA), XRD, UV-VIS-NIR spectroscopy and CIE-L*a*b* color-measurements. The pigments obtained by the Pechini method present a better solubility in the molten glazes than the pigments obtained by the mechanical mixture of the precursor oxides. This revised version was published online in August 2006 with corrections to the Cover Date.     

Search for direct CP violation in nonleptonic decays of charged Xi and lambda hyperons

A search for direct CP violation in the nonleptonic decays of hyperons has been performed. In comparing the product of the decay parameters, alpha(Xi)alpha(Lambda), in terms of an asymmetry parameter, A(XiLambda), between hyperons and antihyperons in the charged Xi-->Lambdapi and Lambda-->ppi decay sequence, we found no evidence of direct CP violation. The parameter A(XiLambda) was measured to be 0.012+/-0.014.