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Frequency factor, potential energy surfaces

Q is the usual partition function of the activated complex referred to the minimum in the potential of the normal molecule as the zero of energy, Q is the partition function qf the three rotations and three translations of the normal molecule, Ea IS the activation energy of the reaction as measured from the minimum of the normal molecule potential energy surface to the minimum of the activated complex, 0 is the zero-point energy of the activated complex, and the v( s are the vibrational frequencies, of the normal molecule. Moreover, A the rate of deactivation of active molecules to normal molecules, has been set equal to the collision number Z times an efficiency factor y, assumed to be isotope independent. [Pg.33]


See other pages where Frequency factor, potential energy surfaces is mentioned: [Pg.248]    [Pg.391]    [Pg.10]    [Pg.279]    [Pg.221]    [Pg.161]    [Pg.820]    [Pg.52]    [Pg.371]    [Pg.6]    [Pg.84]    [Pg.820]    [Pg.185]    [Pg.145]    [Pg.203]    [Pg.190]    [Pg.116]    [Pg.28]    [Pg.62]    [Pg.63]    [Pg.40]    [Pg.41]    [Pg.156]    [Pg.844]    [Pg.1245]    [Pg.167]    [Pg.88]    [Pg.248]    [Pg.303]    [Pg.6285]    [Pg.161]    [Pg.288]    [Pg.6173]    [Pg.12]    [Pg.461]    [Pg.32]    [Pg.251]    [Pg.27]    [Pg.229]    [Pg.2]    [Pg.74]    [Pg.452]    [Pg.373]    [Pg.22]    [Pg.11]    [Pg.56]    [Pg.255]   
See also in sourсe #XX -- [ Pg.88 ]




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Energy factor

Frequency energy

Frequency factor

Potential energy surface frequencies

Surface factor

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