Evaluation of two-center overlap integrals using slater type orbitals in terms of bessel type orbitals

Using the definition of STOs in terms of BTOs, we have presented analytical formula for two-center overlap integrals. The obtained formula contains generalized binomial coefficients and Mulliken integrals A_k and B_k. Taking into account the recent advances on the efficient calculation of Mulliken integrals (Harris, Int. J. Quantum Chem., 100 (2004) 142), we have obtained many more satisfactory results for two-center overlap integrals, for arbitrary quantum numbers, scaling parameters, and location of atomic orbitals.PACS No: 31.15.+qAMS Subject Classification: 81V55, 81–08     

Spectroscopic and Electrochemical Studies of Transition Metal Complexes with N,N′-Bis(2-aminothiophenol)-1,7-bis(2-formylphenyl)-1,4,7-trioxaheptane and Structure Effects on Extractability of Ligand towards some Divalent Cations

Summary. La(III), Cu(II), Ni(II), and Zn(II) metal complexes with a novel quadridentate Schiff base derived from 1,7-bis(2-formylphenyl)-1,4,7-trioxaheptane and 2-aminothiophenol were synthesized and characterized by microanalytical data, elemental analysis, magnetic measurements, ¹H NMR, ¹³C NMR, UV-Vis, IR, mass spectra, cyclic voltammetric and conductance measurements. The extractability of divalent cations was evaluated as a function of relationship between distribution ratio of the metal and pH or ligand concentration. The highest extraction percentage of Cu²⁺ and Ni²⁺ showed pH 7.0 and 6.4. It was concluded that the ligand can effectively be used in solvent extraction of copper(II) and nickel(II) from the aqueous phase to the organic phase.     

Synthesis and Characterization of New Macrocyclic Cu（Ⅱ） Complexes from Various Diamines, Copper（Ⅱ） Nitrate and 1,4-Bis（2-formylphenoxy）butane

Six new macrocyclic complexes were synthesized by a template reaction of 1,4-bis（2-formylphenoxy）butane with diamines and Cu（NO3）2·3H2O and their structures were proposed on the basis of elemental analysis, FT-IR, UV-Vis, magnetic susceptibility measurements, molar conductivity measurements and mass spectra. The metal to ligand molar ratios of the Cu（Ⅱ） complexes were found to be 1 ： 1. The Cu（Ⅱ） complexes are 1 ： 2 electrolytes as shown by their molar conductivities （∧m） in DMF at 10^-3 mol·L^-1. Due to the existence of free ions the Cu（Ⅱ） complexes are electrically conductive. Their configurations were proposed to be probably distorted octahedral.     

Approximate solution of multi-pantograph equation with variable coefficients

This paper deals with the approximate solution of multi-pantograph equation with nonhomogenous term in terms of Taylor polynomials. The technique we have used is based on a Taylor matrix method. In addition, some numerical examples are presented to show the properties of the given method and the results are discussed.     

A facile route to cyclopentenones by friedel-crafts acylation

Various cyclopentenones are obtained in fair to high yields when ethylenic acyl bromides are condensed with cyclohexene at low temperature. With less reactive reagents, condensation occurs at 0 °C, leading to β-chloro-ketones. A muscone precursor is obtained in two steps with excellent yields.     

Umlagerungen der substituierten 1-Phenylallyl-alkohole

Ohne Zusammenfassung     

Effective atomic numbers of some vanadium and nickel compounds for total photon interactions using transmission experiments

Effective atomic numbers of V₂O₃,VO₂,VF₃,NH₄VO₃,VF₄,NiF₂,NiCl₂,NiF₂4H₂O,NiCl₂6H₂O,Ni(ClO₄)₂6H₂O were measured in the X-ray energy range 15.746- using an Si(Li) detector. The measured values are compared with the theoretical ones calculated using WinXcom.     

Experimental studies on the Kβ/Kα intensity ratio of Zn at different thickness and pressure

Kβ/Kα intensity ratios of Zn were measured at a photon excitation energy of using a high-resolution Si(Li) detector for several thickness at different pressure. Present results were compared with theoretical data and other experimental values. The results were in good agreement theoretical values based on Hartree-Fock theory.     

Investigation of alpha emitters in fresh and powdered blood of fertile women: an in vitro application of CR-39 NTDs

Blood samples were acquired from 60 women aged 20–44 years having decreased fertility, infertile or with uterine tumors in the Iraqi Kurdistan region. The concentrations of α emitters in fresh blood ranged from 0.0029 to 0.0088 ppm, whereas those in powdered blood ranged from 0.0036 ppm in Eiskan to 0.0096 ppm in Halabjay–Kon in Sulaymania. The α emitter concentrations in fresh blood ranged from 0.0029 to 0.0139 ppm, whereas those in powdered blood ranged from 0.0031 ppm in Shorsh to 0.0146 ppm in Sedakan in the Erbil Governorate. However, the concentrations of α emitters in the blood of women with decreased fertility were higher in the North than women from South Iraq. The difference significantly p < 0.001 revealed higher means of track density of fresh and powder blood in Erbil compared to Sulaymania. α are more damaging to the living tissue and exposure of the gonads leads to decreased fertility in women, most of data have been significant therefore, the result shown the radiation effect on women fertility.