Calculation of the infrared spectrum and density of the vibrational states of an SiO2 melt by molecular dynamics

The density of the vibrational states of an SiO₂ melt under various PT conditions, the distributions of the Si-O-Si and O-Si-O angles in it, and its IR absorption spectra have been calculated by molecular dynamics with the use of a pairwise additive Born-Mayer potential. A comparison with the experimental data reveals that the ionic approximation selected is capable of basically reproducing the structural and spectroscopic properties of the melt, but the distributions of the bond angles are considerably broader than the experimentally determined distributions, and the absorption band caused by the stretching vibrations is not displayed in the calculated spectrum. The disparities indicated are apparently due to the isotropic nature of the potential of the interparticle interactions.V. I. Vernadskii Institute of Geochemistry and Analytical Chemistry, Academy of Sciences of the USSR, Moscow. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 27, No. 4, pp. 467–470, July–August, 1991. Original article submitted October 12, 1990.     

On Genuine Bernstein–Durrmeyer Operators

We continue the studies on the so–called genuine Bernstein–Durrmeyer operators U _n by establishing a recurrence formula for the moments and by investigating the semigroup T(t) approximated by U _n . Moreover, for sufficiently smooth functions the degree of this convergence is estimated. We also determine the eigenstructure of U _n , compute the moments of T(t) and establish asymptotic formulas. Received: January 26, 2007.     

Molecular crystal structure and chemical properties of 4-phenyl-3,5-diethoxycarbonyl-1,2,6-trimethyl-1,2-dihydropyridine

The molecular crystal structure of 4-phenyl-3,5-diethoxycarbonyl-1,2,6-trimethyl-1,2-dihydropyridine has been investigated by x-ray structural analysis. The three-dimensional structural properties of the molecule have been compared against the large observed reactivity of the 3-ethoxycarbonyl group with respect to nucleophilic substitution reactions.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 9, pp. 1236–1239, September, 1991.     

Rank of quantized universal enveloping algebras and modular functions

We compute an intrinsic rank invariant for quasitriangular Hopf algebras in the case of general quantum groupsU _q (g). As a function ofq the rank has remarkable number theoretic properties connected with modular covariance and Galois theory. A number of examples are treated in detail, including rank (U _q (su(3))) and rank (U _q (e ₈)). We briefly indicate a physical interpretation as relating Chern-Simons theory with the theory of a quantum particle confined to an alcove ofg.     

Reaction of 2-formyl-1,3-cyclohexanediones with cyanoacetamide

Chemistry of Heterocyclic Compounds -     

Temporal characteristics of picosecond stimulated Raman scattering in oxide crystals

The temporal characteristics of stimulated Raman scattering (SRS) under 22-ps laser excitation were studied in eight oxide crystals with a T ₂ optical-phonon dephasing time variable by up to two orders of magnitude. The measured SRS pulse width was shortened from 13.8 ps for Ba(NO₃)₂ (T ₂ = 26.5 ps) to 4 ps for the LiNbO₃ (T ₂ = 0.38 ps) crystal. The dependence of SRS pulse width on the dephasing time was analyzed in the framework of the known SRS theory.     

About Regularity of Collections of Sets

The paper continues investigations of stationarity and regularity properties of collections of sets in normed spaces. It contains a summary of different characterizations (both primal and dual) of regularity and a list of sufficient conditions for a collection of sets to be regular.