Electronic structure of Sc2AC (A=Al, Ga, In, Tl)

Using ab initio calculations, we have studied Sc₂AC with A=Al, Ga, In and Tl. We show that C 2p and Sc 3d as well as A p and Sc 3d states are hybridized, but the antibonding states in the vicinity of the Fermi level weaken the overall bonding. In terms of the chemical bonding, the influence of the size of the A element is minute. Furthermore, the bulk modulus of the corresponding binary transition metal carbide is not conserved in these phases. Therefore, Sc₂AC can be classified as weakly coupled MAX phases according to Sun and co-workers [Z. Sun, D. Music, R. Ahuja, S. Li, J.M. Schneider, Phys. Rev. B 70 (2004) 092102]. It is our ambition that these calculations will stimulate experimental research on these compounds.     

Use of new composite materials for the determination of Cu, Cd, Mo, As, and Sb in biological samples by radiochemical neutron activation analysis

Summary  Vezetéknév     

Approximation by a binomial type law

Kaunas Academy of Agriculture, 4324 Noreikiškés, Lithuania. Translated from Lietuvos Matematikos Rinkinys, Vol. 32, No. 2, pp. 221–228, April–June, 1992.     

On the numerical solution of axisymmetric domain optimization problems by dual finite element method

Shape optimization of an axisymmetric three-dimensional domain with an elliptic boundary value state problem is solved. Since the cost functional is given in terms of the cogradient of the solution, a dual finite element method based on the minimum of complementary energy principle is used. © 1994 John Wiley & Sons, Inc.     

Crystallization-induced asymmetric transformation. Application to conjugate addition of benzylamine to amides of benzoylacrylic acid

Adducts of the conjugate addition of benzylamine to enantiopure amides of aroylacrylic acid possess high enantiomeric and diastereomeric purity. A high degree of stereoselectivity has been achieved by means of crystallization-induced asymmetric transformation. A practical synthesis leading to dipeptides containing homophenylalanine is depicted.     

Recent developments in the synthesis of 11β-aryl-estrone derivatives

An industrial synthesis of 11β-aryl-estrone derivatives is described, based on the 1,4-addition of the aryl side-chain, as a cuprate, on to a mixture of allylic 5(10) alpha and beta epoxides, followed by hydrolysis and subsequent aromatization.     

Enthalpies of sorption of linear hydrocarbons (C2–C8) and chloroderivatives of methane and ethylene on the surface of hydrotalcite

Differential molar adsorption enthalpies (DMAE) were determined by gas chromatographic measurements of specific retention volume of vapors on the surface of two forms of Mg–Al hydrotalcite. A linear dependence of the DMAE on the number of the carbon atoms in hydrocarbons was observed for both form of hydrotalcite. The dependence of the differential molar adsorption enthalpies on the number of chlorine atoms in organic molecules is discussed. A linear dependence of DMAE on the molecular weight of chloroderivatives of methane and ethylene on the basic form in an order monochloromethane < dichloromethane < trichloromethane or vinylidene chloride < 1,1-dichloroethylene < trichloroethylene was found.     

Theorems of Large Deviations in the Approximation by the Compound Poisson Distribution

The paper is devoted to the research of large deviation probabilities in the approximation by compound Poisson law.     

New Interfaces for Coupling TLC with TOF SIMS

JPC – Journal of Planar Chromatography – Modern TLC - Two interfaces have been tested for coupling thin-layer chromatography (TLC) with time-of-flight secondary-ion mass spectrometry...