A program for simulation experiments to study reactions with three particles in the final state

The results from the kinematic simulation of experiments to study two-stage A + B → C + D* → C + (E + F) reactions that proceed through a decaying intermediate state D* with three particles in the final state are presented, and the program used in this modeling is described. The program allows us to determine an experiment’s geometry, calculate the time-of-flight times and energies for all secondary particles within the chosen geometry, and optimize the setup parameters (detector size and time and energy resolution) so as to obtain the proper excitation energy resolution of intermediate state D*. The results obtained in simulating an experiment to study the d + ³H → ³He + ²n, ²n → n + n reaction are detailed.     

The coarse geometric Novikov conjecture and uniform convexity

The coarse geometric Novikov conjecture provides an algorithm to determine when the higher index of an elliptic operator on a noncompact space is nonzero. The purpose of this paper is to prove the coarse geometric Novikov conjecture for spaces which admit a (coarse) uniform embedding into a uniformly convex Banach space.     

Reactions of hydrazobenzene and tetranitromethane with nitroxyl radicals

The values of isotropic HFS constantsa _N were obtained for nitroxyl radicals (NR) of the piperidine series in hexane and water. The interrelation between rate constants for NR reduction and oxidation reactions, isotropic HFS constantsa _N, inductive constants of the piperidine substituents, and electrochemical characteristics of NR were found. The dependence of the rate constants for the reduction of NR by hydrazobenzene (HB) and its oxidation by tetranitromethane (TNM) upon the Hammett type inductive constants _EPR, obtained using HFS constantsa _N as the basis, was analyzed. The solvent effect on the reduction and oxidation reaction rate constants, the kinetic isotopic effect of the reduction reaction for a number of NR-HB systems, and alternative reaction mechanisms are considered.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1074–1079, June, 1993.     

Calculation of mean-square vibrational amplitudes and shrinkage for linear triatomic molecules of AB2 type

Formulae for the calculation of shrinkage and mean-square amplitudes for linear molecules of AB₂ type have been derived without the use of small harmonic vibration theory. The probability density of the internuclear distance distribution being calculated with allowance for the rotation—vibration interaction. The formulae obtained agree, within experimental error, with electron diffraction data for molecules characterized by large displacements of the nuclei from their equilibrium positions. These data cannot be described by the relations usually employed in gas electron-diffraction investigations.