Barnes Hospital Record

https://digitalcommons.wustl.edu/bjc_barnes_record/1023/thumbnail.jp

Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model

An extension of the Anisotropic United Atoms intermolecular potential model is proposed for nitriles. The electrostatic part of the intermolecular potential is calculated using atomic charges obtained by a simple Mulliken population analysis. The repulsion-dispersion interaction parameters for methyl and methylene groups are taken from transferable AUA4 literature parameters [Ungerer et al., J. Chem. Phys., 2000, 112, 5499]. Non-bonding Lennard-Jones intermolecular potential parameters are regressed for the carbon and nitrogen atoms of the nitrile group (–C≡N) from experimental vapor-liquid equilibrium data of acetonitrile. Gibbs Ensemble Monte Carlo simulations and experimental data agreement is very good for acetonitrile, and better than previous molecular potential proposed by Hloucha et al. [J. Chem. Phys., 2000, 113, 5401]. The transferability of the resulting potential is then successfully tested, without any further readjustment, to predict vapor-liquid phase equilibrium of propionitrile and n-butyronitrile

Barnes Hospital Record

https://digitalcommons.wustl.edu/bjc_barnes_record/1040/thumbnail.jp

Prospects for international policy coordination: some lessons from the EMS

International economic relations ; European Monetary System (Organization)

METAPHORS AS A DYNAMIC ARTEFACT OF SOCIAL VALUES EXPRESSED IN LETTERS TO EDITORS

Metaphor discussed in this paper is an expression formulated from metaphoric expressions used by the writer of letters to editors of Suara Merdeka daily newspaper. This paper aims at elaborating how metaphoric expressions used in letters to editors of Suara Merdeka Daily Newspaper become a dynamic artefact of social values. To achieve the goal, this research uses nonparticipant observation for collecting data and purposive sampling techniques for selecting and choosing samples. The samples are the metaphoric expressions found in the letters to editors of Suara Merdeka Daily Newspaper written in the period of general elections of House of Representative Members (Pileg) in 2009. To analyze the data, this research uses referential method and abductive inferencial technique. Referential method is used to show and interpret the concepts represented by the metaphoric expressions, while the abductive inferencial technique is used to show the social values formulated in the concepts of the metaphors. The result shows that the social values inferenced from the metaphoric expressions that became the artefacts are related with what people do or behave, perceive, and experience in the connection with the general elections conducted, House of Representative candidate‘s personality and behavior, the role of the political parties, the fund to run the elections, campaign, people aspiration and voice, vote gathering, the fixed list of the voter, general elections committee. The dynamicity of the artefact is shown horizontally and vertically. The horizontal dynamicity is shown by the arrangement of different words representing experience, thought, and feeling in connection with what people experience in general election in 2009, while the vertical dynamicity is shown by the choice of the different words in the same category representing their experience related to the election. The experience changes through time leading to the dynamicity of the expressions used

Infrared emission and excitation in LMC HII regions

The infrared excess (IRE) of the Large Magellanic Cloud (LMC) HII nebulae is found to correlate positively with the temperature of the ambient radiation field or with the He(+)/H(+) abundance ratio. This result is discussed in terms of a selective absorption of the photons in the range 504 to 912 A relative to the He ionizing photons. This interpretation may explain the paradox of finding highly excited nebulae with only relatively moderate equivalent width of their Balmer lines

"Political Aspects of European Monetary Integration After WW II"

It is nearly impossible to fully understand the developments and problems of European economic and monetary integration without examining its historical and political background. European monetary integration has at times been propelled, at times been hindered by political motives and developments. Political motivations were already of great importance for the first stage of European economic and monetary integration in the framework of the OEEC and the European Payments Union in the forties and fifties. Even more for the creation of the European Communities (ECSC, EURATOM, EEC) in the fifties. However, considerations of national sovereignty and diverse if not conflicting concepts of economic and monetary policy priorities resulted in the virtual exclusion of economic and monetary policies from any serious attempts of coordination and harmonization. The completion of the EEC customs union and the monetary crises in the late sixties led to a major effort in economic and monetary policy integration culminating in the Werner Plan of 1970. The only result of these efforts was the "snake" which, while in the end shrinking to not much more than a DM zone, provided some framework for monetary cooperation. and The economic difficulties of the seventies on a European and global scale but also the desire to boost the political momentum behind European integration led to the EMS. Political considerations played an important role not only in reviving the process toward Economic and Monetary Union which led to the Delors Report but also in the specific design of the provisions of the Maastricht Treaty and in the premature notion of the EMS as a de facto monetary union. Contrary to many expectations, the EMS crises in 1992 and 1993 did not lead to an abandonment of the objectives of the Maastricht Treaty but resulted in efforts - for political as well as economic reasons - to salvage the EMS and to continue with efforts aimed at economic convergence for the core of the EMS countries. Strong adherence to national sovereignty, insufficient economic convergence, and difficulties in agreeing on meaningful elements of political union undermined until now attempts to create EMU. The substitution of national currencies - powerful symbols of national sovereignty and achievements - by an untested European currency requires progress in the mentioned areas