Methodology derivation

The ring-opening mechanism was well supported by the snapshots and the overlap bond population obtained from TB-QCMD simulations, where the formation of new C-H and La-C bonds and the dissociation of La-H and proximal C-C bonds could be tracked. The obtained dynamic ring opening mechanism was similar to the static mechanism, however, a novel transition state was also proposed for insertion reaction of alkenes, with tetrahedral h4-coordination. This example perfectly illustrates the importance of mutual interplay between high-level first principle methodologies and simplified methodologies derived from ab initio quantum chemistry, massively applicable for real systems. 

The model is derived to take into consideration the possibility of multiple storage vessels which are dedicated to the storage of certain wastewater. The formulation shares some of the characteristics of the multiple contaminant model presented in the previous chapter. This is due to the fact that both formulations have roots in the scheduling methodology derived by Majozi and Zhu (2001). Furthermore, the uneven discretization of the time horizon is used as the time representation. 

Using the methodology derived by Majozi (2006) a central storage vessel with a minimum capacity of 300 kg was identified. However, as can be seen above, with the use of inherent storage this is not required. In both the solution found by Majozi (2006) and that above the minimum wastewater target identified was 1285.5 kg. 

The methodology derived from these results has enabled methyl (i )-chroman-2-carboxy-late (250) to be converted into the synthetically more valuable S enantiomer (251) in a 78% overall yield (Scheme 65). Use of the mesylate ensured that in the key reduction-cyclization sequence inversion of configuration occurred. 

The ms/ms methodology derives from studies on metastable ions and on high energy collisions occurring within the mass spectrometer. As an analytical tool it relys on one key concept - that mixtures can be analyzed by separating components after ionization according to their masses. The sequence employed in gc/ms is separation, then ionization the latter is reversed in ms/ms. This approach provides the unique separatory speed of the technique given the fact that ion transit times, as well as random mass... 

The multivariate methods described above have been used to examine a series of multispecies toxicity tests. Described below are the data analyses from two published tests using methodology derived from the Standardized Aquatic Microcosm (SAM) (ASTM E1366-91). The method is described in some detail in Chapter 4. 

Synthetic methodologies derived from electron-defficient alkynes (with participation and formation of heterocycles) 01MI130. 

Synthetic Methodology Derived from the DoM-Cross-Coupiing Nexus... 

Synthetic Methodology Derived from the DoM-Cross-Coupling Nexus 1081 Table 14.8 One-pot DoM-Suzuki-Miyaura cross-coupling reaction to Pyr-Ar systems [25a],... 

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