Interaction of He Atoms with XeF2 Observed in Crossed Molecular Beams

The interactional shape of XeF₂ with respect to energy and distance was observed by He atom scattering in molecular beam experiments. The heterogeneous second virial coefficient and the binary coefficient of diffusion were calculated from the resulting interaction potential.     

Approximation of the Quadratic Set Covering problem

We study in this article the polynomial approximation properties of the Quadratic Set Covering problem. This problem, which arises in many applications, is a natural generalization of the usual Set Covering problem. We show that this problem is very hard to approximate in the general case, and even in classical subcases (when the size of each set or when the frequency of each element is bounded by a constant). Then we focus on the convex case and give both positive and negative approximation results. Finally, we tackle the unweighted version of this problem.     

Boolean regression

We take a regression-based approach to the problem of induction, which is the problem of inferring general rules from specific instances. Whereas traditional regression analysis fits a numerical formula to data, we fit a logical formula to boolean data. We can, for instance, construct an expert system for fitting rules to an expert's observed behavior. A regression-based approach has the advantage of providing tests of statistical significance as well as other tools of regression analysis. Our approach can be extended to nonboolean discrete data, and we argue that it is better suited to rule construction than logit and other types of categorical data analysis. We find maximum likelihood and bayesian estimates of a best-fitting boolean function or formula and show that bayesian estimates are more appropriate. We also derive confidence and significance levels. We show that finding the best-fitting logical formula is a pseudo-boolean optimization problem, and finding the best-fitting monotone function is a network flow problem.The first and second authors gratefully acknowledge the partial support of NSF (Grant DMS 89-06870) and AFOSR (Grants 89-0512 and 90-0008), and the third author that of AFOSR (Grant 91-0287) and ONR (Grant N00014-92-J-1028).     

Electrochemical Behavior of a Glassy Carbon Electrode Chemically Modified with Nickel Pentacyanonitrosylferrate in Presence of Sulfur Compounds

The glassy carbon electrode was modified with a nickel pentacyanonitrosylferrate film by electrodeposition of Ni and subsequent derivatization with NaPCNF. The film was characterized by XPS and electrochemical methods. Cyclic voltammetry of the NiPCNF onto the GC shows a redox couple (Fe^III/Fe^II) with E°′ of 538 mV (I_pa/I_pc around 1) and ΔE_p of 93 mV in 0.5 mol L^?1 KNO₃, with a diffusion‐controlled process. There was a decrease of anodic peak currents of the film in the presence of sulfide and 2‐propanethiol due to a precipitation reaction on the film surface by nucleophilic attack.     

Vibrational spectroscopy of N-methyliminodiacetic acid (MIDA)-protected boronate ester: examination of the B-N dative bond

N-methyliminodiacetic acid (MIDA)-protected boronate esters are a new class of reagents that offer great promise in iterative Suzuki-Miyaura cross-coupling reactions. Compared to earlier reagents, MIDA esters are easily handled and are benchtop stable under air indefinitely. The success of this new species is tied to its unique molecular architecture. Compared to the simpler B-N containing molecules ammonia borane and trimethylamine borane, MIDA esters are much larger, and the sp(3) hybridized boron atom is secured by two five membered rings, making this molecular class stable for spectroscopic study. Here, we present infrared, Raman, and surface enhanced Raman (SERS) spectra of methylboronic acid MIDA ester. Comparisons of the spectroscopic results to those from electronic structure calculations suggest that the B-N stretching mode in this molecule lies in the range 560-650 cm(-1), making it among the lowest energy vibrations observed to date that can be primarily attributed to B-N stretching.     

Site planning for clinical NMR systems

The installation of a nuclear magnetic resonance imaging system (NMR or MRI) in a clinical environment requires detailed planning to insure adequate safety and optimal system performance. The important considerations of site planning are discussed in this paper and solutions suggested by various system manufacturers are detailed. In addition, experimental results illustrating the effects of improper site planning are also presented.     

Zur Epitaxie von Galliumnitrid auf nichtstöchiometrischem Spinell im System GaCl/NH3/He

The crystalline perfection and the epitaxial relationships of GaN layers prepared by the reaction of GaCl and NH₃ in He carrier gas on {111} and {100} spinel substrates have been determined by RHEED measurements. The epitaxial relationships were found to be The best crystalline perfection could be achieved at growth temperatures of 1000…︁1050°C and growth rates more than 1 μm/min. – The growth direction 〈101 1〉 has been found to be more suitable for rapid growth than the direction 〈0001〉.     

Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane

Reversible conversion between excited-states plays an important role in many photophysical phenomena. Using 1-(pyren-2′-yl)-o-carborane as a model, we studied the photoinduced reversible charge-transfer (CT) process and the thermodynamic equilibrium between the locally-excited (LE) state and CT state, by combining steady state, time-resolved, and temperature-dependent fluorescence spectroscopy, fs- and ns-transient absorption, and DFT and LR-TDDFT calculations. Our results show that the energy gaps and energy barriers between the LE, CT, and a non-emissive ‘mixed’ state of 1-(pyren-2′-yl)-o-carborane are very small, and all three excited states are accessible at room temperature. The internal-conversion and reverse internal-conversion between LE and CT states are significantly faster than the radiative decay, and the two states have the same lifetimes and are in thermodynamic equilibrium.

Reversible conversion between excited-states is key to many photophysical phenomena. We studied the equilibrium between LE and CT states by time-resolved and temperature-dependent fluorescence, fs- and ns-transient absorption, and LR-TDDFT calculations.     

Effect of an electron beam generated in an X-pinch plasma on the structure of the K spectra of multiply charged ions

The first experimental studies of an electron beam generated in an X pinch on the XP machine (Cornell University, USA) and the BIN machine (P. N. Lebedev Physical Institute, Russian Academy of Sciences) are reported. It is shown that it is possible in an X pinch to isolate the effect of a plasma-generated electron beam on the multiply charged ion radiation. The intensities of the satellite lines corresponding to Li-, Be-, B-, and C-like ions are calculated for the Al spectrum on the basis of a collisional-radiative model with a non-Maxwellian electron distribution in the plasma. The effect of an electron beam on the multiply charged light ion radiation in an X-pinch plasma is demonstrated. Comparing our calculations with the experimental spectra, we conclude that the present model can be used to estimate the electron beam intensity. Zh. éksp. Teor. Fiz. 112, 894–909 (September 1997)     

Formation, cascade development, and rupture of the X-pinch neck

Data from high-resolution x-ray shadow photography of an X-pinch in the diode of a high-power dense-plasma generator are presented. The processes leading to the formation of a minidiode, the compression of the neck arising in it, and the cutoff and subsequent emptying of the neck are studied. Cascade formation of short-lived structures, which consistently reproduce the form of the minidiode on small scales before the x-ray burst, is observed in the course of the implosion. The position of the x-ray emission points is determined.