State specificity

Rettner C T, Micheisen H A and Auerbach D J 1993 From quantum-state-specific dynamics to reaction-rates-the dominant roie of transiationai energy in promoting the dissociation of D2on Cu(111) under equiiibrium conditions Faraday D/scuss. 96 17... 

In particular, the probability of finding the unimolecular reactant within its potential energy well decreases according to this law. Thus F detemrines tire lifetune of the state and the state specific unimolecular rate constant is... 

If all the resonance states which fomi a microcanonical ensemble have random i, and are thus intrinsically unassignable, a situation arises which is caWtA. statistical state-specific behaviour [95]. Since the wavefunction coefficients of the i / are Gaussian random variables when projected onto (]). basis fiinctions for any zero-order representation [96], the distribution of the state-specific rate constants will be as statistical as possible. If these within the energy interval E E+ AE fomi a conthuious distribution, Levine [97] has argued that the probability of a particular k is given by the Porter-Thomas [98] distribution... 

If the state-specific rate constants are assumed continuous, equation (A3.12.65) can be written as [103]... 

Hase W L, Cho S-W, Lu D-H and Swamy K N 1989 The role of state specificity in unimolecular rate theory Chem. Phys. 139 1-13... 

Lu D-H and Hase W L 1989 Monoenergetic unimolecular rate constants and their dependence on pressure and fluctuations in state-specific unimolecular rate constants J. Phys. Chem. 93 1681-3... 

Song K and Hase W L 1998 Role of state specificity in the temperature- and pressure-dependent unimolecular rate constants for H02->H+02 dissociation J. Phys. Chem. A 102 1292-6... 

Miyawaki J, Yamanouchi K and Tsuchiya S 1993 State-specific unimolecular reaction of NO2 just above the dissociation threshold J. Chem. Phys. 99 254-64... 

Schinke R, Beck C, Grebenshchikov S Y and Keller H-M 1998 Unimolecular dissociation a state-specific quantum mechanical perspective Ber. Bunsenges. Phys. Chem. 102 593-611... 

Ingredients. Ingredients used in the manufacture of carbonated beverages must meet all Food Chemical Codex specifications and be approved for use in soft drinks by the FDA. In addition to the government stated specifications, manufacturers of carbonated beverages may complete additional analyses based on specific needs or concerns. 

Fig. 25. Room temperature Raman spectra for purified single-wall carbon nanotubes excited at five different laser wavelengths, showing evidence for the resonant enhancement effect. As a consequence of the ID density of states, specific nanotubes (n, m) are resonant at each laser frequency [195].

The electrostatic solvait effects discussed in the preceding paragraphs are not the only possible modes of interaction of solvent with reactants and transition states. Specific structural effects may cause either the reactants or the transition state to be particularly stroi ly solvated. Figure 4.12 shows how such solvation can affect the relative energies of the ground state and transition state and cause rate variations from solvent to solvent. 

Copies of the report sent to the State or Indian tribe should be the "sanitized, non-trade secret version of the report, unless the State specifically requires otherwise. The report submitted to EPA should include both trade-secret and non-trade-secret versions. 

Since the sulphone group contains sulphur in its highest oxidation state, specific analytical procedures based on controlled oxidation are not possible. The complete molecule can be submitted to oxidative degradation, e.g. in the elemental sulphur determination, methods for which, as stated above, will not be included here. 

Linear response function approaches were introduced into the chemistry literature about thirty years ago Ref. [1,2]. At that time they were referred to as Green functions or propagator approaches. Soon after the introduction it became apparent that they offered a viable and attractive alternative to the state specific approaches for obtaining molecular properties as excitation energies, transition moments and second order molecular properties. 

Specific signs and symptoms are beyond the scope of this chapter (see disease-state-specific chapters for these findings). 

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