High levels

This wetness fraction is possibly too high, since high levels of wetness can cause damage to the turbine. To allow a lower wetness fraction of, say, a = 0.15, then the outlet pressure of the turbine must be raised 0.2 bar, corresponding to a condensing temperature of 60°C. However, in so doing, the shaftwork generation decreases to 4.2 MW. 

CtHjCIjNS, PhC(S)NH2, a herbicide with a high level of biological activity. 

Protamines. Strongly basic, low mol. wt. proteins which contain high levels of arginine, but no sulphur-containing amino-acids. They are soluble proteins, associated with nucleic acids and are obtained in large quantity from fish spermatozoa. 

The high C/H ratio for heavy fuels and their high levels of contaminants such as sulfur, water, and sediment, tend to reduce their NHV which can reach as low as 40,000 kJ/kg by comparison to the 42,500 kJ/kg for a conventional home-heating oil. This characteristic is not found in the specifications, but it is a main factor in price negotiations for fuels in terms of cost per ton. Therefore it is subject to frequent verification. 

The high level of amplitude (> 60 dB) of these AE events indicated the presence of a evolving defect. After this proof test, the vessel was pressurized until burst. All along this test the activity of acoustic emission was very important, and divided in two phasis. 

No emission during holds was observed but the concentration of events in clusters and the high level of amplitude of events confirmed the results of the proof test. After 20 bars, the bottom of the vessel around the defect became silent and activity is observed in the high part of the vessel near welds. 

The effectiveness of the approach is demonstrated on two rqjresentative NDT techniques intapretation of data acquired with an ultrasonic rail inspection system and interpretation of eddy-current data from heat exchangers in (petro-)chemical industry. The results show that it is possible to provide a high level of automation in combination with efficient operator support for highly variable NDT measurements where up to now use of automated interpretation was only limited. 

Inside the tube near the driver coil there is a high level of field, but this is rapidly attenuated by the eddy currents generated in the inside wall. 

Piezocomposite ceramic can be tailored to our needs in contrast to conventional piezoceramic. The first parameter we can modify is the ceramic volume fraction. Fig. 2 indicates that the thickness coupling factor of the 1-3 composite is higher over a wide range of ceramic volume fraction between 15% and 95% than the coupling factor for PZT of about 0.52. Between 25% and 70% of volume fraction it is nearly constant at a high level of approximately 0.65. 

Many potential energy surfaces have been proposed for the F + FI2 reaction. It is one of the first reactions for which a surface was generated by a high-level ab initio calculation including electron correlation [47]. The... 

Detailed analyses of the above experiments suggest that the apparent steps in k E) may not arise from quantized transition state energy levels [110.111]. Transition state models used to interpret the ketene and acetaldehyde dissociation experiments are not consistent with the results of high-level ab initio calculations [110.111]. The steps observed for NO2 dissociation may originate from the opening of electronically excited dissociation chaimels [107.108]. It is also of interest that RRKM-like steps in k E) are not found from detailed quantum dynamical calculations of unimolecular dissociation [91.101.102.112]. More studies are needed of unimolecular reactions near tln-eshold to detennine whether tiiere are actual quantized transition states and steps in k E) and, if not, what is the origin of the apparent steps in the above measurements of k E). 

The methodology presented so far allows the calculations of state-to-state. S -matrix elements. However, often one is not interested in this high-level of detail but prefers instead to find more average infomiation, such as the initial-state selected reaction probability, i.e. the probability of rearrangement given an initial state Uq. In general, this probability is... 

Diatomic molecules have only one vibrational mode, but VER mechanisms are paradoxically quite complex (see examples C3.5.6.1 and C3.5.6.2). Consequently there is an enonnous variability in VER lifetimes, which may range from 56 s (liquid N2 [18]) to 1 ps (e.g. XeF in Ar [25]), and a high level of sensitivity to environment. A remarkable feature of simpler systems is spontaneous concentration and localization of vibrational energy due to anhannonicity. Collisional up-pumping processes such as... 

It was shown by several workers that in this case the first-order Jahn-Teller distortion is due to an ej vibration, and that the second-order distortion vanishes. Therefore, in terms of simple Jahn-Teller theoi, the moat around the symmetric point should be a Mexican hat type, without secondary minima. This expectation was borne out by high-level quantum chemical calculations, which showed that the energy difference between the two expected C2v structures ( A2 and Bi) were indeed very small [73]. 

The first point to remark is that methods that are to be incorporated in MD, and thus require frequent updates, must be both accurate and efficient. It is likely that only semi-empirical and density functional (DFT) methods are suitable for embedding. Semi-empirical methods include MO (molecular orbital) [90] and valence-bond methods [89], both being dependent on suitable parametrizations that can be validated by high-level ab initio QM. The quality of DFT has improved recently by refinements of the exchange density functional to such an extent that its accuracy rivals that of the best ab initio calculations [91]. DFT is quite suitable for embedding into a classical environment [92]. Therefore DFT is expected to have the best potential for future incorporation in embedded QM/MD. 

The SWISS-PROT database [36] release 40.44 (February, 2003) contains over 120 000 sequences of proteins with more than 44 million amino adds abstracted from about 100 000 references. Besides sequence data, bibHographical references, and taxonomy data, there are highly valuable annotations of information (e.g., protein function), a minimal level of redundancy, and a high level of integration with other databases (EMBL, PDB, PIR, etc.). The database was initiated in 1987 by a partnership between the Department of Medicinal Biochemistry of the University of Geneva, Switzerland, and the EMBL. Now SWISS-PROT is driven as a joint project of the EMBL and the Swiss Institute of Bioinformatics (SIB). 

The basis sets that we have considered thus far are sufficient for most calculations. However, for some high-level calculations a basis set that effectively enables the basis set limit to be achieved is required. The even-tempered basis set is designed to achieve this each function m this basis set is the product of a spherical harmonic and a Gaussian function multiplied... 

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