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Potential-energy surfaces models

Martin, J.A., W. Greiner Potential Energy Surface Model of Collective States, in High-Angular Momentum Property of Nuclei (N.R Johnson, Ed.) Harwood Academic Publishers, New York, NJ, 1983. [Pg.1218]

TlntermedtaleTiomJalizetfwave lncfl6n7 t2 Internal energy, 298, 374 Internal rotation, partition function for, 306 Intersecting potential energy surfaces model, 48... [Pg.220]

This model of reactions does not violate the Heisenberg uncertainty principle. Reaction mechanisms, defined as these homotopy equivalence classes, are fully quantum chemical within the context of any potential energy surface model. [Pg.29]

A chemical reaction can be regarded as a transformation between molecules typically, a change of the nuclear coordinates serves as an indication of this transformation, and the nuclear configuration space and potential energy surface models with the associated reaction path and reaction mechanism approaches provide a useful description. [Pg.251]

A somewhat simpler aspect of the Universal Molecule model is exploited if one considers a specific stoichiometry, that is, a given set of nuclei, as a single super-entity , and aU the possible molecular species which can be obtained from this set of nuclei and a fixed number of electrons are regarded only as variants of the same Universal Molecule. In fact, this, somewhat simplified version of the Universal Molecule model is the closest to the potential energy surface model if the electronic state is also restricted, then, in fact, all realizations of this Universal Molecule are actual species along the potential energy surface. [Pg.252]


See other pages where Potential-energy surfaces models is mentioned: [Pg.48]    [Pg.399]    [Pg.259]    [Pg.101]    [Pg.191]    [Pg.317]    [Pg.317]    [Pg.317]    [Pg.25]    [Pg.25]    [Pg.159]    [Pg.160]    [Pg.71]    [Pg.634]    [Pg.72]    [Pg.160]    [Pg.249]    [Pg.124]    [Pg.32]   
See also in sourсe #XX -- [ Pg.31 , Pg.33 ]




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Cluster models potential energy surfaces

Intersecting potential energy surfaces model

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Model potential

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Potential energy surface coordinate models

Potential energy surface modelling

Potential energy surfaces mechanistic model

Potential energy surfaces statistical kinetic models

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