Effect of carbon nanotubes, as a novel support material, on the performance of Rh-catalyst supported by them was studied. Catalysts based on carbon nanotubes, SiO2, carbon molecular sieves, active carbon, and GDX-l02(a copolymer of styrene with divin...

Electrochemical Scanning Tunneling Microscopy (ECSTM) has been extended to characterizc polycrystalline silver electrode surfaces in iodide solution. Potential-dependent ordered and disordered structures of the silver electrode as well as the iodine ...

By using ab initio method, we have optimized 27 geometric configurations of the 10 valence-electron diberyllium diboride(B2Be2). A singlet tetranhedral like structure h is the most stable one at HF and QCISD(T)/6-311G** level. The stability order of ...

Adsorption, aggregation and membrane structure of dye anions such as methyl orange(MO) and titan yellow(TY) on the cationic surface of vesicle bilayers containing schiff base were studied systemetically. The adsorption and aggregation were revealed t...

The Ln0.67Sr0.33Fe.Mn1-xO3(LSFMO)(0.05< x <0.33) systems have been synthesized by co-precipitation. The X-ray diffraction patterns indicates that these compounds are of single phase with rhombohedral structure. The resistivity of samples was measured...

The mechanisms of all the addition reaction paths of 1,3-cyclohexa-diene with propylene have been studied by using ab initio UHF/6-31G* method. All geometries of the stationary points have been optimized. Stepwise and concerted processes are both pos...

Comparative molecular field analysis (CoMFA) was applied to the quantitative structure-activity relationship studies of growth hormone secreta gues. The final model is highly predictive, and the active conformation of this series of compounds was der...

The Monte Carlo simulation technique was developed to calculate the volume and surface area of molecules. In the fixed confidence degree, expected values within the specified confidence limit could be obtained. The result of this method was better th...

High temperature solid phase I of 2,2,3-trimethylbutane(C7H16)(TMB) was investigated by X-ray powder diffraction. The electron diffraction technique for observing the kinetics of phase transitions in the condensed matter has been applied to study the...

The local structure surrounding Mo and Ni atoms in a series of nickel-molybdenum-γ-Al2O3 catalysts promoted by P2O5 or TiO2 was investigated using EXAFS technique at Mo and Ni 1s edge. The analysis results show that the addition of P or Ti increases ...

PM3 method has been applied to study the tautomeric reactions of p-R-phenyltetrazoles. The results obtained show that these tautomeric reactions are all endothermic. The activation energies of the tautomeric reactions are 234.101(H), 234.311(CH3), 23...

Adsorption behavior of urea on silver electrode and the influence of thiourea on its adsorption in sulphuric acid solution were investigated by polarization curves and Surface Enhanced Raman Spectroscopy. Urea was found to under a condensation react...