Interior-point algorithm for quadratically constrained entropy minimization problems

In this paper, we develop an interior point algorithm for quadratically constrained entropy problems. The algorithm uses a variation of Newton's method to follow a central path trajectory in the interior of the feasible set. The primal-dual gap is made less than a given in at most steps, wheren is the dimension of the problem andm is the number of quadratic inequality constraints.     

Sturmian functions for nonlocal interactions

The problem of calculation of Sturmian functions (positive energy Weinberg states) for nonlocal (exchange) interactions is considered. It is shown that the method of continued fractions proposed by Horáek and Sasakawa makes the calculation of Sturmian eigenfunctions and eigenvalues feasible even for complicated nonlocal interactions. As an example Sturmian functions and Sturmian eigenvalues for the low energy electron-hydrogen scattering in the static exchange approximation are calculated. In addition a very general proof of convergence of the method of continued fractions is presented.Dedicated to the memory of Professor Jozef Kvasnica.     

Oxidative versus reductive additions: A 13C NMR study of H2, HX (X = Cl,Br, OR I), and Cl2 additions to some iridium(I) complexes

The ¹³C NMR spectra of a number of iridium complexes and of their adducts with H₂, HX, and Cl₂ (X = Cl, Br, I) are used to estimate the redox character of these additions. Rather than having the oxidative character expected, H₂ addition seems to be reductive. HX and Cl₂ additions are oxidative. Some of these complexes appear to have Lewis acid, rather than the expected Lewis base character.     

A solvothermal synthesis and the structure of K4Ag2Sn3S9 x 2KOH

A novel layered K(4)Ag(2)Sn(3)S(9) x 2KOH was synthesized solvothermally. A mixture of ethanol and HSCH(2)CH(SH)CH(2)OH was used for the synthesis. The HSCH(2)CH(SH)CH(2)OH plays an important role and appears to serve as a mineralizer for the solvothermal reaction. A layer comprises Sn(3)S(9)(6)(-) clusters linked by Ag(+) ions and possesses two types of 1D channels in which potassium ions are located. The compound crystallizes in the monoclinic P2(1)/m space group [a = 7.8071(2) A, b = 27.3508(1) A, c = 10.5008(2) A, alpha = 90 degrees, beta = 103.874(1) degrees, gamma = 90 degrees, Z = 4]. Its crystal structure, composition analysis, and IR are presented.     

Studium des gegenseitigen Einflusses der Bindungen in Thiocyanat-Kupfer(II)-Komplexen mit Methyl- und Dimethylpyridinen mittels Infrarotspektroskopie

The infrared spectra of thiocyanato-copper(II) complexes of the type Cu(NCS)₂ L ₂ with all isomeric picolines and lutidines (L) as well as those of the type Cu(NCS)₂ L ₃ withL=3- and 4-picoline, 3,4- and 3,5-lutidine were measured. The behaviour of the (CN) stretching vibrations of the Cu(NCS)₂ L ₂ complexes led to conclusions on the different kind of coordination of the NCS groups in dependence on the ligandL. The mutually conditioned strength of the Cu–NCS and Cu–N(L) bonds in the equatorial plane, especially in the presence of ligandsL with the steric effect, was determined from the frequency shift of the Cu–NCS and Cu–N(L) stretching vibrations with regard to the vibrations for Cu(NCS)₂(pyridine)₂.

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超声波作用下的糖精相转移催化N—苄基化反应的研究

超声波作用下的糖精相转移催化Ｎ－苄基化反应的研究嵇学林刘华黄昆（江苏镇江医学院有机化学教研室镇江２１２００１）关键词超声波相转换催化糖精苄基化有机声化学近年来，由于超声波（Ｕｌｔｒａｓｏｕｎ，缩写Ｕ．Ｓ）在有机合成中应用的不断发展，逐渐形成了一门新兴...     

Pentakis(methoxycarbonyl)cyclopentadiene,a strong organic acid: Crystal and molecular structures of HC5(CO)2Me)5 and Li[C5(CO2Me)5](H2O)

Contrary to some previously depicted structures, the proton in HC₅(CO₂Me)₅ is bonded to two oxygens rather than to carbon; the lithium ion in Li[C₅(CO₂Me)₅] (H₂O) is tetrahedrally coordinated by two carbonyl oxygens from one C₅ anion, one from a second anion, and a water molecule.     

Regio- and stereocontrolled synthesis and conformational analysis of benzimidazole nucleosides

Regio- and stereocontrolled synthesis and conformational analysis of a series of benzimidazole nucleosides were achieved. A simple method by ¹H NMR 1D NOE experiment was developed for estimation of syn or anti conformation of benzimidazole nucleosides. Substituents at C2 of benzimidazole demonstrated to play a key role both in the unexpected regioselectivity of the glycosidic reaction and in the conformation distributions of the final products.