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Local non-rigid groups

LOCAL NON-RIGID GROUPS. THE LOCAL HAMILTONIAN OPERATOR... [Pg.3]

Hamiltonian operators. We shall see that with such approximate operators, we shall be able to deduce new and larger groups, which shall permit to introduce additional simplifications into the Hamiltonian matrix solutions. These new groups will be called Local Restricted Non-Rigid Groups [21,22]. The idea of using approximate Hamiltonian operators was already for warded by Bunker [8. ... [Pg.45]

In the NRG theory developed here, however, the formalism of Altmann will be adopted because of its simple physical interpretation and also because of its large flexibility and generality. For example, the concept of local groups for an approximate treatment of non-rigid systems can be more easily introduced into the Altmann s formalism, when the Longuet-Higgins one is completely inadapted [21,22]. [Pg.6]

For constructing the local group, let us rewrite the complete non-rigid subgroup (38) as ... [Pg.49]

The majority of studies into the catalytic behaviour of dendrimers with chiral catalytic centres at the periphery of the dendritic support have concerned non-phosphine-based catalysts. As has become apparent in these studies, the effect of the dendrimer fixation on the catalytic performance generally depends on the individual system. Factors such as the high local density of catalytic sites, the interaction of functional groups in the dendrimer backbone with the catalysts and the structural rigidity or flexibility of the dendrimers seem to play a role in many cases. [Pg.69]


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Local Group

Non-local

Non-locality

Non-rigidity

Rigid groups

Rigidity local

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