in this study, the geometries of the [sininhn]q and [sicunhn]q clusters, (n = 4,5,6 and q = 0,+1,-1) complexes have been optimized to form complexes with four, five and six planar and nonplanarsubstituents, with negative, neutral or positive atomic charge, using density functionaltheory (dft) at b3lyp/6-311+g (3df, p) computational level and then their thermodynamicstability were investigated b...

The adsorption of Sr on the Si(001) surface with the semiantiphase dimer (2 · 2) reconstruction is studied, based upon the ab initio pseudopotential calculations. It is calculated that the semiantiphase dimer (2 · 2) reconstruction (2 dimers per unit cell) is more favorable than the (2 · 1) phase (1 dimer per unit cell) by an energy of about 0.24 eV/dimer. Considering the energetically more sta...

The most powerful channel coding schemes, namely, those based on turbo codes and LPDC (Low density parity check) codes have in common principle of iterative decoding. Shannon’s predictions for optimal codes would imply random like codes, intuitively implying that the decoding operation on these codes would be prohibitively complex. A brief comparison of Turbo codes and LDPC codes will be given ...

Materials, synthetic procedures and physical measurements. SI-­‐1 Figure S1. CV data for [(TPEN)Fe] (1). SI-­‐2 Figure S2. UV-­‐visible monitoring of the reaction of [(TPEN)Fe] (1) with dioxygen in the presence of one equivalent BPh4 and 1 equivalent HClO4 in acetonitrile at -­‐20°C. SI-­‐3 Figure S3. X-­‐band EPR spectrum at 100 K of [(TPEN)Fe(OOH)] (2) generated by reaction of 1 with 50 eq H2...

The equilibrium molecular structure of octaphenyloctasilsesquioxane Si(8)O(12)Ph(8) in the gas phase has been determined by electron diffraction. It was found to have D(4) point-group symmetry, with Si-O bond lengths of 1.634(15)-1.645(19) A, and a narrow range [147.5(45)-149.8(24) degrees] of Si-O-Si angles. The structures of Si(8)O(12)(p-tolyl)(8) and Si(8)O(12)(p-ClCH(2)C(6)H(4))(8) have bee...