Molecular structures of adsorbed water

A method previously developed for calculating molecular nanostructures in liquid and adsorbed fluids based on the combination of molecular dynamics with graph theory is modified. In terms of the modified method, the concentrations of associates in water adsorbed in model pores of active carbon are calculated as functions of the degree of pore filling and temperature.     

Integrable discrete time chains for the Frobenius-Stickelberger-Thiele polynomials

The notion of Frobenius-Stickelberger-Thiele (FST) polynomials is introduced. Spectral transformations for these polynomials analogous to the Christoffel and Geronimus transformations for orthogonal polynomials are constructed. They yield an integrable discrete time chain (the FST chain) related to the generalized -algorithm. Relations of the FST polynomials to the Padé interpolation problem and to general and symmetric biorthogonal rational functions are considered in detail. This work is supported in part by the Russian Foundation for Basic Research (RFBR) grant no. 06-01-00191 and the Grant-in-Aid for Scientific Research no. 15540119 from the Ministry of Education, Culture, Sports, Science and Technology, Japan.     

Low-temperature heat capacity of sodium erbium molybdophosphate Na<Subscript>2</Subscript>Er(MoO<Subscript>4</Subscript>)(PO<Subscript>4</Subscript>)

Adiabatic calorimetry is used to measure the low-temperature heat capacity of Na₂Er(MoO₄)(PO₄)from 6.41 to 347.87 K. Experimental data are used to calculate the thermodynamic functions of Na₂Er(MoO₄)(PO₄), which at 298.15 K are as follows: C _p ⁰ (298.15 K) = 243,3 ± 0.4 J/(K mol), S ⁰(298.15 K) = 312.8 ± 0.8 J/(K mol), H ⁰(298.15 K) ? H ⁰(0 K) = 45280 ± 90 J/mol, and Φ⁰(298.15 K) = 136.1 ± 0.3 J/(K mol). A diffuse heat-capacity anomaly associated with splitting of the Stark levels (Schottky anomaly) is discovered in the low-temperature region.     

Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry

Appearance energies of [M-H](-) ions from carbonyl compounds R-CO-R' (R,R' = H, CH(3), NH(2), OH) have been measured by means of negative ion mass spectrometry in resonant electron capture mode. Values of electron affinity of the corresponding radicals, CH(2)&dbond;C(X)O, NH&dbond;C(X)O and O&dbond;C(X)O, have been determined. Copyright 1999 John Wiley & Sons, Ltd.