Conditional energy valley

This description results from the fact that the optimum orbitals are essentially determined in the region surrounding each atom by the compensation between the kinetic energy T of the electron and the Coulomb attraction of the electron by the nucleus of that atom. This compensation implies that the orbital is very weakly dependent of the environment of the atom in the molecular system so that it is essentially determined by atomic conditions (Valley theorem). 

In the fall of 1999, a pilot zeolite barrier was installed at the West Valley Demonstration Project (WVDP) in Western New York. The WVDP is an environmental management project being conducted by the U.S. Department of Energy (DOE) with the cooperation of the New York State Energy Research and Development Authority. Details of the installation are reported by Moore et al. (2000). The clinoptilolite material used in the barrier had previously been studied by Cantrell (1996) for a proposed installation at the DOE Hanford Facility, by Fuhrmann et al. (1995) for use at the WVDP, and by Lee et al. (1998) for the 1998 installation at Chalk River, Ontario. The range of previously estimated distribution coefficients (Kd) was from 650 mL/g (Fuhrmann et al.) to 2600 mL/g (Cantrell). The variation across these studies is most likely attributable to differences in the source water and experimental conditions, although the data interpretation... 

Condition of reaction (30) corresponds to curve 3, separating the reactant and product valleys (latter not shown). Values of energies to which equipotential curves correspond are given in... 

Under stress, a one-valley EM donor state follows the energy shift of the valley it belongs to. A study of the effect of a uniaxial stress on the donor spectra in a multi-valley semiconductor (silicon) has been undertaken by Tekippe et al. [140]. The treatment given below follows this presentation closely, with minor changes in the notations. Following the deformation potential analysis of [60], the shift in energy Aof valley j of the CB of silicon or germanium with respect to the zero-stress conditions is ... 

The combined analysis of the SOC and energy surfaces allows for a simultaneous estimation of both factors that are decisive for the ISC process Near the T valley the conditions for ISC are unfavorable due to the energetic order of the Sq and Tj states. From the SOC surfaces it is evident that a rotation of the methylene groups toward a face-to-face orientation is important. In this region (a > 45°) a decrease of y to values around 105° leads to a Tj-Sq intersection only a few kcal/mol are required to reach this region where the geometries are most favorable for ISC. Here, the Sq surface drops clearly toward the cyclopropane structure. This corresponds to a preferred formation of cyclic products, a preference postulated previously solely on the basis of the potential energy surfaces [32a]. The SOC surface, however, clearly emphasizes the importance of the SOC value for the ISC process. 

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