Incoherence correction strategies in statistical matching

Several economic applications require to consider different data sources and to integrate the information coming from them. This paper focuses on statistical matching, in particular we deal with incoherences. In fact, when logical constraints among the variables are present incoherencies on the probability evaluations can arise. The aim of this paper is to remove such incoherences by using different methods based on distances minimization or least commitment imprecise probabilities extensions. An illustrative example shows peculiarities of the different correction methods. Finally, limited to pseudo distance minimization, we performed a systematic comparison through a simulation study.     

Activated scaling of classical and quantum spin glasses

A model for thermally activated dynamics in disordered systems shows that the linear and nonlinear susceptibility follows a generic exponential form with a "critical rounding," chi(1) proportional to chi(3) proportional to [T ln(t/tau(0)')/K](gamma/b phi) exp - [Tt(g)(phi b)ln(t/tau(0)'/K)](nu/b) (T=temperature, t=time, K=barrier constant, t(g) = 1 - T(SG)/T, and T(SG) = transition temperature; gamma>0 for chi(3) and <0 for chi(1)). This model, also valid in the presence of resonant tunneling states at energies K(0) < K [provided that K is replaced by K(0)+2T ln (1/Gamma(0)), where Gamma(0)(2) proportional, variant tunnel splitting of a spin S=1], is potentially applicable to a wide variety of systems opening the way for the study of thermally activated quantum phase transitions. The famous spin-glass system LiHo(x)Y(1-x) seems to follow this model.     

Bromine adsorption on Ge(001) surface: comparative study for coverages of 0.25, 0.5, 0.75 and 1 monolayer

We present theoretical analysis of bromine adsorption on the Ge(001)-p(1×2) surface. Bromine adsorbs dissociatively at the Ge(001) surface and the adlayer of bromine develops ordered structures of adatoms bound to substrate dimers. We analyse atomic configurations of the Ge(001) surface covered by 0.25, 0.5, 0.75 and 1 monolayer of bromine. Various stable surface structures, found in calculations, are presented and their energies are compared. Simulated STM images are also discussed for the considered configurations.      

Tetra­ethyl­ammonium bis­(N,N‐diethyl­dithio­carbamato‐κ2S,S′)iodo­cadmate(II)

The title compound, (C₈H₂₀N)[Cd(C₅H₁₀NS₂)₂I], containing a heteroleptic five‐coordinate mononuclear anionic cadmium complex, crystallizes in ortho­rhom­bic form in the space group Pnma. Both anion and cation lie about mirror planes. Unlike other known [Cd(dtc)₂X]‐type complexes (where dtc is dithio­carbamate and X is a halogen or pseudohalogen), the central CdS₄I core shows a square‐pyramidal configuration, with a basal plane defined by four S atoms from two chelating dithio­carbamate ligands related by a symmetry plane. The central Cd atom is displaced from the basal S₄ plane towards the apical I atom of the square pyramid.     

Mass spectrometric studies of 2-aryl-5-acetylthiazole derivatives

Electron ionisation mass spectrometry was usefully used to characterize structurally 2-aryl-5-acetylthiazole derivatives in the gas phase. The compounds show characteristic fragmentation pathways depending on the chemical nature of the substituent at position 2, consisting mainly in the cleavage of both the 1,2- and 3,4-bonds of the thiazole ring. Liquid secondary ion mass spectrometry was applied to study the effects of protonation on the gas-phase unimolecular reactions of this class of compound. Tandem mass spectrometric experiments, carried out on molecular and protonated molecular ions, and also on fragment ions produced in the source, allowed the elucidation of gas-phase decompositions of low-internal energy ions.     

Reversible guest-induced magnetic and structural single-crystal-to-single-crystal transformation in microporous coordination network {[Ni(cyclam)]3[W(CN)8]2}n

Planar honeycomb-like coordination network {[Ni(cyclam)]3[W(CN)8]2}n (cyclam = 1,4,8,11-tetraazacyclotetradecane) was obtained in the self-assembly reaction of [Ni(cyclam)]2+ and [W(CN)]83-. Its structure is characterized by void channels along the a axis. The compound shows reversible water adsorption in the temperature range of 25-40 degrees C with the formation of {[Ni(cyclam)]3[W(CN)8]2}n.16nH2O, accompanied by single-crystal-to-single-crystal transformation. The structural transformation significantly changes the character of intraplane magnetic exchange interactions.     

Vanadium and molybdenum peroxides: synthesis and catalytic activity in oxidation reactions

Catalysis by transition metal ions in oxidation reactions with hydrogen peroxide and alkyl hydroperoxides is a leading topic in the pursuit of more sustainable and selective processes, to obtain compounds with high added value. The most recent achievements concerning the synthesis and characterization, as well as the key aspects of reactivity, of V(V) and Mo(VI) peroxo complexes have been collected here.