Products of mixed covering arrays of strength two

A covering array CA(N;t,k, v is an N × k array such that every N × t subarray contains all t‐tuples from v symbols at least once, where t is the strength of the array. Covering arrays are used to generate software test suites to cover all t‐sets of component interactions. The particular case when t = 2 (pairwise coverage) has been extensively studied, both to develop combinatorial constructions and to provide effective algorithmic search techniques. In this paper, a simple “cut‐and‐paste” construction is extended to covering arrays in which different columns (factors) admit different numbers of symbols (values); in the process an improved recursive construction for covering arrays with t = 2 is derived. © 2005 Wiley Periodicals, Inc. J Combin Designs 14: 124–138, 2006     

Time Evolution of Vibration-Induced Excited State Decay

A simple model consisting of two electronic levels and one vibrational mode (phonon) was theoretically studied. The electronic-vibrational interaction was linear in the vibrational displacement. The vibrational mode was taken in the harmonic approximation and was attached to the thermal bath formed by the ambient environment. The kinetic constants of the vibrational dissipation were of the second order in the vibrational-bath coupling and were taken in the Markovian limit. Although, depending on the parameters of the model, different curves of the non-radiative vibration-induced excited state decay were obtained, in general, three time intervals, corresponding to different physical behaviour, were found. In the short-time interval, small oscillations superimposed on the excited state decay were observed. They were determined by the vibrational frequency and influenced by electronic-vibrational coupling. In the middle-time interval, almost quasi-exponential decay was detected; its rate constant increased with stronger electronic-vibrational interaction and speed of vibrational relaxation. In the long-time interval, the decay was very slow and, under special conditions, even an asymptotic non-zero excited state population was observed. Its value increased with the strength of the off-diagonal electron-vibrational coupling. Links of the parameters of the model with quantum chemical terms were estimated.     

A study of the mechanism and kinetics of interaction between nepheline powder and ammonium hydrofluoride

Behavior of a skeleton silicate, nepheline, in the reaction of fluorination with ammonium hydrofluoride was studied by means of differential-thermal, X-ray phase, and chemical analyses, IR spectroscopy, and scanning electron microscopy.     

Model of free charge generation in polymers

A time solution of the excimer-ion pair system is presented here with a special attention to the time asymptote. Presented at the Czech-Israeli-German Symposium “Dynamical Processes in Condensed Molecular Systems”, Prague, Czech Republic, 26–30 May 1997. This work was supported by the grant No. C 1050601 of the Grant Agency of the Academy of Sciences of the Czech Republic.     

Interface-induced states with an incommensurate spin-density wave in Fe/Cr-type multilayers

A model is proposed for magnetic ordering in Fe/Cr-type multilayers substantially above the Néel temperature of bulk chromium. Redistribution of the charge (and, hence, spin) density near the Fe/Cr interfaces gives rise to the formation of an essentially inhomogeneous spin-density-wave (SDW) state in the chromium spacer. The spatial structure of the antiferromagnetic order parameter in thick spacers is described. The SDW contribution to the effective exchange coupling between the moments in adjacent iron layers is calculated. The data obtained are used in the interpretation of experimental data on the tunneling spectroscopy of trilayers and neutron diffraction from Fe/Cr superlattices.     

钙钛矿型La_((1 x)/2)Sr_((1-x)/2)Co_(1-x)Cu_xO_3催化CO氧化活性与表征

研究了钙钛矿型LaSrCoCu_xO_3催化剂对CO氧化反应的催化活性及其表面氧的催化作用．结果表明，x＝0．4的催化剂对CO氧化具有最高催化活性，常压及本实验条件下CO完全氧化的最低温度为168℃；催化剂均为氧缺陷化合物，吸附于表面晶格氧缺陷上的吸附氧是CO氧化反应的活性氧物种；并发现催化剂中存在有非常价态的C04 ，认为CO氧化反应是通过吸附氧调变Co3 和Co4 价态而进行．     

Bifunctional monodisperse microspheres of copolymers of methyl methacrylate and N-vinylformamide

Emulsion copolymerization of methyl methacrylate and N-vinylformamide in the presence of azo initiators and dextran as a polymeric stabilizer was analyzed with the aim to prepare monodisperse polymer microspheres with a polyfunctional surface. Hydrolysis of comonomer units and cationic groups of the initiator residues in the surface layer of the particles to give amphoteric surfaces containing carboxy and amino groups was studied. The optimal conditions of formation of monodisperse microspheres with diameter varied in the 340–660 nm range and the conditions of their hydrolysis, which allow direct control of the amount and nature of functional groups on their surface, were found.     

Synthesis of beta-lactams by Ag+-induced ring expansion of 1-hydroxycyclopropylamines: a theoretical analysis

A theoretical analysis of the silver-induced ring expansion of N-chloro-N-methyl-1-hydroxycyclopropylamine to form N-methyl-2-azetidinone, and of the Cl(-) elimination from this substrate without Ag(+) assistance, was performed using the B3LYP method and the 6-31+G(d) basis set for C, N, O, H, and Cl atoms and the relativistic effective core pseudopotential LANL2DZ complemented with one set of f polarization functions (zeta(f) = 0.473) for the Ag atom. The partial Ag(+)-assisted extrusion of Cl(-) at the rate-determining transition state provokes an important change in the nodal properties of the frontier molecular orbitals of the H(3)CClNCOHAg(+) fragment, thus making very stabilizing HOMO-LUMO interactions between this fragment and the C(2)H(4) moiety possible. This interaction leads to the ring opening and release of most of the strain energy, giving rise to a low energy barrier for the process. Also, by assisting the Cl(-) extrusion, Ag(+) avoids the elimination of the hydroxyl hydrogen atom, which would provoke the fragmentation of the system instead of the formation of the beta-lactam.