New Proposal to Iran: Will It Be Enough to Defuse the Nuclear Crisis?

This BASIC Note assesses the progress of transatlantic diplomacy toward Iran on nuclear issues. On June 6, Iran was presented with a revised package of incentives to persuade it to curb its uranium enrichment program. The authors argued previously that the earlier E3/EU proposal was vague on incentives and heavy on demands. (See BASIC Note, August 11, 2005 at http://www.basicint.org/pubs/Notes/BN050811-IranEU.htm). In this article, the authors suggest that if the June 6 proposal had been offered a year ago (or better still two years ago), much of the recent damage to diplomatic relations between Iran and the West could have been avoided

GaMnAs grown on (311) GaAs substrates: modified Mn incorporation and new magnetic anisotropies

We report the results of a detailed study of the structural, magnetic and magnetotransport properties of as-grown and annealed Ga0.91Mn0.09As thin films grown on (311)A and (311)B GaAs substrates. The high Curie temperature and hole density of the (311)B material are comparable to those of GaMnAs grown on (001) GaAs under the same growth conditions, while they are much lower for the (311)A material. We find evidence that Mn incorporation is more efficient for (311)B than for (001) and significantly less efficient for (311)A which is consistent with the bonding on these surfaces. This indicates that growth on (311)B may be a route to increased Curie temperatures in GaMnAs. A biaxial magnetic anisotropy is observed for the (311) material with easy axes along the [010] and [001] out-of-plane directions. An additional uniaxial in-plane anisotropy is also observed with the easy axis along for the (311)A material, and along for the (311)B material. This new observation may be of importance for the resolution of the outstanding problem of the origin of uniaxial anisotropy in (001) GaMnAs.Comment: 16 pages, 6 figures and 1 table. accepted by Phys. Rev.

Hydrogen bonded complexes between nitrogen dioxide, nitric acid, nitrous acid and water with SiH3OH and Si(OH)4

The inter-conversion of nitrogen oxides and oxy acids on silica surfaces is of major atmospheric importance. As a preliminary step towards rationalising experimental observations, and understanding the mechanisms behind such reactions we have looked at the binding energies of NO2, N2O4, HNO3, HONO and H2O with simple proxies of a silica surface, namely SiH3OH and Si(OH)4 units. The geometries of these molecular clusters were optimised at both HF/6-311+G(d) and B3LYP/6-311+G(d) level of theory. The SCF energies of the species were determined at the HF/6-311++G(3df,2pd) and B3LYP/6-311++G(3df,2pd) level. The values indicate that nitric acid is by far the most strongly bound species, in agreement with experimental observations. It was also found that the dimer N2O4 is significantly more strongly bound to the Si(OH)4 and SiH3OH units than NO2 itself. The vibrational frequencies calculated for the hydrogen-bonded complexes are compared to the experimentally observed frequencies of the adsorbed species where possible

State of New York Public Employment Relations Board Decisions from June 30, 2003

6_30_2003_PERB_BD_DecisionsOCR.pdf: 311 downloads, before Oct. 1, 2020

Raoul Beunen, Kristof Van Assche, & Martijn Duineveld, Evolutionary Governance Theory: Theory and Applications

Book Revie

Octanol/water distribution coefficients of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates: Comparison of the IEFPCM-UFF, CPCM, and SMD solvation models

The octanol/water distribution coefficients (log D~ow~) of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates (PFSAs) were calculated using the M062X/6-311++G(d,p) and MP2/6-311++G(d,p)//M062X/6-311++G(d,p) levels of theory and the IEFPCM-UFF, CPCM, and SMD solvation models. At both levels of theory with all solvation models, absolute log D~ow~ calculated for the straight chain C~1~ through C~7~ PFSAs display a substantial negative bias against available experimental data and expected trends by several log units. However, the SMD solvation model achieves accurate relative log D~ow~ accuracy, yielding fragmental contributions of a -CF~2~- group towards the log D~ow~ of 0.51+/-0.02 to 0.54+/-0.01 units (-3.0+/-0.1 to -3.1+/-0.1 kJ/mol), in good agreement with the experimental value of 0.61 units (-3.4+/-0.1 kJ/mol). In contrast, the IEFPCM-UFF and CPCM solvation models exhibit either invariant log D~ow~ with increasing perfluoro-n-alkyl chain length (CPCM) or a modestly decreasing trend (IEFPCM-UFF)