The vibrational spectra and normal coordinate analysis of tetracyclopropyllead

All the fundamental frequencies observed in IR and Raman spectra have been assigned to the normal modes of the molecule (C₃H₅)₄Pb (C₃H₅ = cyclopropyl). The calculated force field is compared to that of (C₃H₅)₂Hg and the Cmetal stretching force constants are discussed along with those of Me₄Pb and Me₂Hg; The similarity of the spectra of cyclopropyllead and cyclopropyl-mercury proves that the vibrations of cyclopropyl structural units are isolated in both molecules.     

Fourier analysis of scratches generated on m‐GaN substrates during polishing

Generation of scratches on surface of m‐plane GaN substrates due to polishing was studied by atomic force microscopy (AFM). For epi‐ready substrates AFM images confirm a flat surface with the atomic step roughness while a lot of scratches are visible in AFM images for partially polished GaN substrates. The Fourier analysis of AFM images show that scratches propagate easier along {c‐plane} and {a‐plane} directions on m‐plane GaN surface. This observation is an evidence of anisotropy of mechanical properties of GaN crystals in the micro‐scale. This anisotropy is directly correlated with the symmetry and atomic arrangement of m‐plane GaN.     

Determination of retained austenite in bearing steel

M?ssbauer effect experiments in scattering geometry were performed for gauging plates and bearings in order to measure the retained austenite content. The results, obtained from numerical calculations of Mössbauer spectra are compared with the X-ray diffraction measurements. A simple three point Mössbauer effect technique is applied in order to decrease the time of measurements in the industrial use.     

Rinneite,K3Na[FeCl6], at 293, 84 and 9.5 K

The crystal structure of tripotassium sodium hexa­chloro­ferrate(II) has been determined by X‐ray diffraction at 293, 84 and 9.5 K. The accurate and extensive data sets collected should be suitable for charge–density analysis studies.     

Recursive intermediate factorization and complete computational linearization of the coupled-cluster single,double, triple,and quadruple excitation equations

Summary The nonlinear CCSDTQ equations are written in a fully linearized form, via the introduction of computationally convenient intermediates. An efficient formulation of the coupled cluster method is proposed. Due to a recursive method for the calculation of intermediates, all computational steps involve the multiplication of an intermediate with aT vertex. This property makes it possible to express the CC equations exclusively in terms of matrix products which can be directly transformed into a highly vectorized program.This work has been supported by the U.S. Air Force Office of Scientific Research, Grant No. 90-0079     

Mössbauer,EPR and susceptibility studies of highly conducting polypyrrole doped with iron chloride

The results of Mössbauer, EPR and static magnetic susceptibility measurements on polypyrrole doped with FeCl₃ are presented. They indicate that iron chloride tetrahedra are interacting with the polymer matrix by hydrogen bonding. This interaction increases with dehydration of the samples. The susceptibility showed a maximum near 5 K, which is an indication for antiferromagnetic interaction, probably between paramagnetic iron and polarons.     

Nondestructive read-out holograms recording in photochromic salicylideneaniline

The plane wave holograms were recorded with the 488 nm line in salicylideneaniline and nondestructive read-out was by the 632.8 nm line. The 0.8% diffraction efficiency was achieved.