A multiconfigurational scf study of the transformation of methylene peroxide to dioxirane Intermediates in the ozonolysis of ethylene

The transformation of methylene peroxide to dioxirane, molecules of importance for understanding the mechanism of ozonolysis of ethylene, has been studied with ab initio MC SCF calculations. The results, an exothermicity of 106 kJ/mol and reaction barrier of 90 kJ/mol, support the Criegee mechanism for liquid-phase ozonolysis and the idea that dioxirane is important for gas-phase ozonolysis of ethylene.     

Review of particle properties

This review of the properties of leptons, mesons, and baryons is an updating of Review of Particle Properties, Particle Data Group [Rev. Mod. Phys. 45, No. 2, Part II, Supplement (1973)]. Data are evaluated, listed, averaged, and summarized in tables.     

The (p, 2p) reaction on 2H, 3He and 4He

The (p, 2p) cross sections on ²H, ³He and ⁴He were measured at 65, 85 and 100 MeV. The experimental data show rather strong energy and target mass dependence, particularly for ⁴He.     

On the definition of the pressure of an infinite system

A microcanonical system $\text{L}$^o_Λ is considered together with a manometer $\text{M}$_Λ. The thermodynamic limit Λ → ∞ is taken for the system $\text{L}$_Λ composed of $\text{L}$^o_Λ and $\text{M}$_Λ. This yields a definition of the pressure P(v, ε) of $\text{{}\text{L}{}^{\mathrm{o}}{}_{\mathrm{\Lambda }}\text{; Λ → ∞}}$ for given values ε and v of the energy and particle densities. P(v, ε) is shown to be equal to the thermodynamic function p(z, β) derived from the grand canonical ensemble for almost all values of ε and v provided the appropriate equilibrium values of the temperature β^?1 and the chemical potential μ = β^?1 log z are inserted.     

Derived Functors of Inverse Limits Revisited

We prove, correct and extend several results of an earlier paperof ours (using and recalling several of our later papers) aboutthe derived functors of projective limit in abelian categories.In particular we prove that if C is an abelian category satisfyingthe Grothendieck axioms AB3 and AB4* and having a set of generatorsthen the first derived functor of projective limit vanisheson so-called Mittag-Leffler sequences in C. The recent examplesgiven by Deligne and Neeman show that the condition that thecategory has a set of generators is necessary. The conditionAB4* is also necessary, and indeed we give for each integerm 1 an example of a Grothendieck category C_m and a Mittag-Lefflersequence in C_m for which the derived functors of its projectivelimit vanish in all positive degrees except m. This leads toa systematic study of derived functors of infinite productsin Grothendieck categories. Several explicit examples of theapplications of these functors are also studied.     

The electronic spectrum of AuO: a combined theoretical and experimental study

The near-infrared electronic spectrum of AuO(1) has been re-examined in light of the new microwave data on the v = 0 and v = 1 vibrations of the X(2)Pi(3/2) state of AuO. The two observed bands in the spectrum, with red-degraded bandheads located at 10726 and 10665 cm(-1), have been reanalyzed. New theoretical work on AuO clarifies the electronic structure, and the bands in the infrared are now assigned as the (0,1) and (1,2) bands of the a(4)Sigma(-)(3/2) - X(2)Pi(3/2) transition, respectively.     

On the degradation of ZnS:Cu,Al,Au phosphor powder: The effects of temperature

Abstract

The effects of temperature are discussed when the ZnS:Cu,Al,Au (P22G) phosphor powder is bombarded by a 2 keV electron beam with a current density of 88 mA/cm² at an oxygen pressure of 2 × 10^?6 Torr at temperatures between 25 and 300°C. The rate of surface reaction decreases at higher temperatures due to the reduction in the mean stay time of the O₂ on the surface which is vital for the reactions according to an electron stimulated surface chemical reaction model. A direct correlation between the temperature and the initial cathodoluminescence (CL) brightness which depicts thermal quenching of the CL was observed.