Occupation interpretation

It follows from Fig. 2c that this feature is lost within the / -resolution, where practically all modes participate in / . Therefore, in reactivity applications the population vector interpretation defined by the v-variables has a clear advantage over the FMA occupation interpretation, associated with the / -variables. Moreover, due to a positive character of the p-contributions to / f =... 

In the - = Xi ctor interpretation the vector space is the m-dimen-sional Euclidean vector space spanned by the AIM basis vectors i > = c, and the scalar (inner) product = aibi, where (ai, bj are components of (3, b) on e. The occupation interpretation calls for the m-dimensional function space spanned by the corresponding AIM function vectors, 11> = 1with the appropriate definition of the scalar product, = J PJ Ppdt. 

In practice, each CSF is a Slater determinant of molecular orbitals, which are divided into three types inactive (doubly occupied), virtual (unoccupied), and active (variable occupancy). The active orbitals are used to build up the various CSFs, and so introduce flexibility into the wave function by including configurations that can describe different situations. Approximate electronic-state wave functions are then provided by the eigenfunctions of the electronic Flamiltonian in the CSF basis. This contrasts to standard FIF theory in which only a single determinant is used, without active orbitals. The use of CSFs, gives the MCSCF wave function a structure that can be interpreted using chemical pictures of electronic configurations [229]. An interpretation in terms of valence bond sti uctures has also been developed, which is very useful for description of a chemical process (see the appendix in [230] and references cited therein). 

The determinant may be present in biological specimens collected from subjects who have not been occupationally exposed, at a concentration which could affect interpretation of the result. Such background concentrations are incorporated in the BEI value. 

Threshold Limit Values or Occupational Exposure Limits (preferably with reference to their interpretation, i.e. not as safe levels). 

W..A. Heitbrink,. M.G, Gressel, T.C. Cooper. Video exposure monitoring—,A mean.s oi saidying. sources of occupational air contaminant exposure. Part 2 Data interpretation. Ai>p . Occup. Environ. Hyg. 8(4), 199,). 

The poisoning effect of hydrogen when dissolved in palladium was for the first time properly described and interpreted by Couper and Eley (29) in 1950 in their study of the fundamental importance of the development of theories of catalysis on metals. The paper and the main results relate to the catalytic effect of an alloying of gold to palladium, on the parahydrogen conversion. This system was chosen as suitable for attempting to relate catalyst activity to the nature and occupation of the electronic energy... 

A highly important factor in the interpretation of gunshot residue analyses is the presence of either Ba, Sb or both on a person s hands from sources other than the firing of a gun, eg, from materials encountered in their normal occupation. An extensive investigation of such handbiank measurements was conducted by GA involving... 

A theoretical interpretation relating the valence electron concentration and the structure was put forward by H. Jones. If we start from copper and add more and more zinc, the valence electron concentration increases. The added electrons have to occupy higher energy levels, i.e. the energy of the Fermi limit is raised and comes closer to the limits of the first Brillouin zone. This is approached at about VEC = 1.36. Higher values of the VEC require the occupation of antibonding states now the body-centered cubic lattice becomes more favorable as it allows a higher VEC within the first Brillouin zone, up to approximately VEC = 1.48. 

In Chapter 1 (Section 1.2.4.3), the Hill equation and the Hill coefficient, nH, are described. Hill coefficients greater than or less than unity are often interpreted as indicating positive or negative cooperativity, respectively, in the relationship between receptor occupancy and response. For example, positive cooperativity could arise due to amplification in a transduction mechanism mediated by G-proteins and changes in cell calcium concentration. 

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