Theoretical study of [F−; e+] and [CN−; e+]

Ab initio calculations are presented for the [F^?; e⁺] and [CN^?; e⁺] complexes. Positron affinities of 4.99 and 3.79 eV are obtained for F^? and CN^?, respectively. The excitation energies to the low-lying excited states of the positron complexes are also calculated.     

A copper-catalyzed C-N bond formation involving sp-hybridized carbons. A direct entry to chiral ynamides via N-alkynylation of amides

A copper-catalyzed new C-N bond formation involving a sp-hybridized carbon is described here leading to a facile entry for syntheses of chiral ynamides. This direct N-alkynylation of amides should have a significant impact on the future development of synthetic methodologies employing ynamides.     

The use of semiempirical energy partitioning terms in the study of through space (homoaromatic) interactions

MNDO and AMI calculations, including configuration interactions, were performed on cycloheptatriene (2), 1,6-methano[10]annulene (3), and the tautomeric elassovalenes (4), (5), and (6). The goal of this study is to examine these systems and assess indicators of the importance of through space (homoaromatic) interactions. It is established that the two-center energy partitioning terms are capable of detecting favorable (negative two-center term) through space interactions. In cases of cyclic conjugation (homoconjugation), it is also shown that the inclusion of CI is necessary.     

A search for charmed particles originating from the interactions of 300 GeV/c protons in emulsion nuclei

The associated production of charmed particles by the interactions of 300 GeV/c protons with complex nuclei has been sought using nuclear emulsions. The failure to observe any candidates for this process among some 60,000 interactions investigated implies, provided charmed particles lifetimes are in the range 10^?12 to 10^?14 s, a cross section for their associated production by the interactions of 300 GeV/c protons with nucleons of less than 1.5 microbarns at a 90% confidence level.     

Acoustic timescale characterisation of symmetric and asymmetric multidimensional hot spots

In this work, two-dimensional hot spots are modelled by combining a linear temperature gradient with a constant temperature plateau. This approach retains the simplicity of a linear temperature gradient, but captures the effects of a local temperature maximum of finite size. Symmetric and asymmetric plateau regions are modelled using both rectangular and elliptical geometries. A one-step Arrhenius reaction for H₂–air is used to model the reactive mixture. Plateaus with different ratios of excitation to acoustic timescales, spanning two orders of magnitude, are simulated. Even with clear differences in behaviour between one and two dimensions, the a priori prescribed hot spot timescale ratio is shown to characterise the 2-D gasdynamic response. The relationship between one and two dimensions is explored using asymmetric plateau regions. It is shown that 1-D behaviour is recovered over a finite time. Furthermore, the duration of this 1-D behaviour is directly related to the asymmetry of the plateau.     

Nachweis und Bestimmung des Mangans sowie seine Trennung von anderen Elementen

Ohne Zusammenfassung