Point geometric

Compared to its prototype, the modification (the so-called Wl theory) did appear to yield improved results for second-row molecules. However, in the W1/W2 validation study [26] we found this to be an artifact of the exaggerated sensitivity of the (old-style) 3-point geometric SCF extrapolation. Use ofthenew-style Eoo+A/L5 extrapolation largely eliminates both the problem and the difference between Wl and Wl theory. 

Point-to-point geometric similarity of two bodies (e.g., two mixing tanks) requires three-dimensional correspondence. Every point in the first body is defined by specific x, y, and z coordinate values. The corresponding point in the second body is defined by specific x, y, and z coordinate values. The correspondence is defined by the following equation ... 

The absorption spectrum of interferants is commonly linear, but nonlinear interferant absorption has been reported. A number of mathematical techniques have been developed to correct for nonlinear interfering absorption. Most of the correction techniques are based on assuming that the interferents have an absorption profile that can be represented by some mathematical function. The simpler correction techniques, such as the geometric correction technique(s), assume a linear interferant absorption profile. A basic approach to the technique can be seen from the three-point geometric correction technique, a modification of which has found applicability to the analysis of vitamin A in fish oils. Higher-order functions have also been used to describe the interfering absorption, and in these cases more involved formulas have been developed. 

Point groups, crystallographic, 261 -262 Points as type size measure, 287 Points (geometric), use of roman type, 152 Polycyclic aromatic compounds, 234 Polymer chemistry, symbols and SI units, 2761... 

The experimental diffusion couples were simulated using the 1-D finite-difference diffusion code, DICTRA, in conjunction with the thermodynamic database, Ni-Data , and the Ni diffusion mobility database of Campbell et al The simulation considered only single phase y with a planar interface between Rene-N4 and Rene-N5 A 200-point geometric grid, which consisted of a higher density of grid points at the center, was used to describe the 6 35 mm couple. The calculations were done with concenbation dependent difTusion coefficient matrices as described in eqns. (1-5). The matrices A for the initial compositions are shown in Tables 2 and 3. 

Kuntz et al. 1982, DOCK spheres (site points) geometric filter shape or force field <1 9 ... 

Miller et al. 1994 FLOG site points geometric filter H-bond -(- hydrophobic -(- e" NR ... 

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