S-basis

Normal Superphosphate. From its beginning as the first commercial phosphate fertilizer, normal superphosphate (NSP), also called ordinary or single superphosphate, has continued among the top fertilizers of the world (Fig. 8). Use of normal superphosphate decreased steadily on a percentage basis because of growing production of more concentrated materials, but grew on a P2 s basis to a maximum of 6.7 x 10 t... 

The licensor s basis for sizing has already been discussed and agreed to or changed. For an olefin plant, the number of steam crackers of the licensor s standard size is firm. For a new process, reactor scaleup methods have been agreed to. For a coal gasification plant, gasifier size. 

Exhaustible natural deposits and timber might qualify for a cost depletion allowance. Each year, depletion is equal to the property s basis, times the number of units sold that year, divided by the number of recoverable units in tbe deposit at the first of the year. The basis is the cost of the property, exclusive of the investment that can be depreciated, less depletion taken in previous years. 

Table 11. Sum of the square of residuals (SSR) for A1 and A3 through A5, using the S basis vectors for Al.

A-basis Also called A-allowable. It is the value above which at least 99% of the population of values is expected to fall with a confidence of 95%. See B-basis population confidence interval S-basis typical basis. 

In addition, it is possible that differences in the BSR may arise due to choice of the s-basis from which the higher angular momentum basis functions are constructed. However, on comparison of the Bethe sum rule for basis C, with the sum rule generated by the same method described above, from another energy optimized, frequently used basis (that of van Duijneveldt [16]), we find only small differences in the BSR, and only at large q values. 

Table 1 Values of the energy of calculated with different CGTO s basis sets.

Five large basis sets have been employed in the present study of benzene basis set 1, which has been taken from Sadlej s tables [37], is a ( ()s6pAdl6sAp) contracted to 5s >p2dl >s2p and contains 210 CGTOs. It has been previously adopted by us in a near Hartree-Fock calculation of electric dipole polarizability of benzene molecule [38]. According to our experience, Sadlej s basis sets [37] provide accurate estimates of first-, second-, and third-order electric properties of large molecules [39]. 

We realize that a more advanced method of calculation might place a larger weight on the role played by the orbitals of the two substituents carried by the Si atoms, and thus produce a larger difference between the parent polysilanes and their permethylated derivatives (cf. Ref. 18), but an inspection of the results suggests that this will not affect our conclusions. Another possible concern has to do with the absence of d orbitals in the INDO/S basis set In a large basis set calculation, they would undoubtedly contribute to some degree to the description of both the a and the lower excited states. They... 

The set of components used in a geochemical model is the calculation s basis. The basis is the coordinate system chosen to describe composition of the overall system of interest, as well as the individual species and phases that make up the system (e.g., Greenwood, 1975). There is no single basis that describes a given system. Rather, the basis is chosen for convenience from among an infinite number of possibilities (e.g., Morel, 1983). Any useful basis can be selected, and the basis may be changed at any point in a calculation to a more convenient one. We discuss the choice of basis species in the next section. 

There is no direct coupling between lb = + 2 and lb = - 2 because of the selection rule (4.128). The values of a, and a2 are obtained by using the equations of the previous sections and are given in general in terms of qu, q22, quin view of the special form of the rotation-vibration matrices, it is convenient to introduce a transformed basis (Wang s basis, 1929 see also Herman et al., 1991 Holland et al., 1992), defined as... 

The values of k were 0.18, 1.98 and 1.16 x 10 (moldm s basis) for Soils A, B and C in Figure 3.15, respectively. These values are more than four times k for the solution system. The values of the inhibition coefficients-a = —1686, = 6.13, c = 3854—were smaller than in the solution system. As a result the concentrations of P and DOC required to halve the rate of precipitation were 10 times those in the solution system. Also the interaction between [Pl] and [Cl] was negligible in the solution system but important in the soils. Figure 3.16 shows plots of Equation (3.54) for different valnes of [Pl] and [Cl] and w = 0.75 gdm. For the values used, which are realistic for submerged-soil solutions, the combined inhibitory effect of P and DOC was snch that an order of magnitude greater degree of supersaturation [(Ca +)(C03 )/A sp] is necessary to produce the same rate of precipitation as in the absence of inhibitors. 

The daily dosing regimen for this patient would be 25 mg X 15 kg = 375 mg. Mefenamic acid suspension is available as 50 mg/5 ml. The patient therefore must be given 37.5 ml to receive the total daily dose of 375 mg 37.5 ml divided into three doses in a day would be equivalent to 12.5 ml. This means that the patient must be given 10 ml on a three times daily (t.d.s.) basis. 

H2O we also use the Dunning s contraction of Huzinaga s basis. Polarization exponent for oxygen is 1.2, while for the set of p orbitals of H a = 0.8. Water molecule is stretched symetrically, with the equilibrium geometry defined in [27]. Calculations are made at Re, 1.5 Re and 2.0 R . Spherical Gaussians (5 7-orbitals) were used. 

Yamaki, D., Koch, H., Ten-no, S. Basis set limits of the second order Moller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene. J. Chem. Phys. 2007, 127, 144104. 

Construct the analog of Figure 9.3 for Walsh s basis set. Show that the representation generated by the new basis has the same components upon reduction as the old representation. 

Figure 2. To the left, quasi-diabatic potential energy surfaces in the B3LYP/cc-pvtz Dunning s basis set. AA represents a cis state (solid line) BB a trans state (solid line) AB is the excited diradical state spin singlet (dashed line) Triplet is the diradical state S=1 (dotted line). To the right, extrapolated diabatic potential energy surfaces for the same states. The angle used to plot energy entries is a = 2 0. All calculations were done with Gaussian 98 [23].

Table 8 The effect of basis set on the polarizability of LiCl. All calculations are for internuclear separation of 3.825 a.u. (a.u. of polarizability = 1.4818 x 10 s5 cm3). The basis sets used are Dunning s basis sets...

When applying the Cl model to the ground state of helium, the 2p2 S basis function makes a significant contribution, and the expansion... 

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