The Conformations and Vibrational Spectra Including Matrix Isolation of 1,3-Dibromo-2,2-dimethylpropane

The IR spectra of 1,3-Dibromo-2,2-dimethylpropane as a liquid and as two crystalline solids obtained at low temperature and at high pressure were recorded. Additional IR spectra of this com-. pound, matrix isolated in argon and nitrogen at 14 K, were obtained using nozzle temperatures of 300, 450 and 700 K. Raman spectra including polarization measurements were recorded at various temperatures between 340 and 230 K. Crystalline solids were obtained by freezing the liquid and by shock freezing the vapour at 85 K with subsequent annealing.The GG and AG conformes were present in the low temperature and in the high pressure crystals, respectively, and the enthalpy differences were 5.6 (liquid) and 4.2 kJ mol-1 (vapour) with GG being the more stable. An additional conformer AA was detected in the liquid and in the matrix isolated spectra, being approximately 6.4 and 6.5 kJ mol-1 less stable than GG in the liquid and vapour, respectively, Vibrational assignments of the GG and AG spectra are presented, supported by a normal coordinate analysis

Dobrucky M.: Flood Forecasting in CrossGrid project

Abstract. This paper presents a prototype of flood forecasting system based on Grid technologies. The system consists of workflow system for executing simulation cascade of meteorological, hydrological and hydraulic models, data management system for storing and accessing different computed and measured data, and web portals as user interfaces. The whole system is tied together by Grid technology and is used to support a virtual organization of experts, developers and users. 1