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Binding energy description

The material factor A contains the material parameters and is a description of the number of recoil atoms that can escape from the soUd. In one description (31) (eq. 18), N is the atomic density of target atoms and is the surface binding energy. [Pg.395]

Three basis sets (minimal s-p, extended s-p and minimal s-p with d functions on the second row atoms) are used to calculate geometries and binding energies of 24 molecules containing second row atoms, d functions are found to be essential in the description of both properties for hypervalent molecules and to be important in the calculations of two-heavy-atom bond lengths even for molecules of normal valence. [Pg.170]

If a singularity in the medium modified few-body T matrix is obtained, it may be taken to indicate the formation of a quantum condensates. Different kinds of quantum condensates are also considered [7, 8], They become obvious if the binding energy of nuclei is investigated [9], Correlated condensates are found to give a reasonable description of near-threshold states of na nuclei [10], The contribution of condensation energy to the nuclear matter EOS would be of importance and has to be taken into account not only in mean-field approximation but also considering correlated condensates. [Pg.77]

The link between the microscopic description of the reaction dynamics and the macroscopic kinetics that can be measured in a catalytic reactor is a micro-kinetic model. Such a model will start from binding energies and reaction rate constants deduced from surface science experiments on well defined single crystal surfaces and relate this to the macroscopic kinetics of the reaction. [Pg.81]


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See also in sourсe #XX -- [ Pg.139 , Pg.141 , Pg.142 ]




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