Accuracy in calculations

The i (r (-function was originally introduced as a mathematical intermediate in order to attain high accuracy in calculating EMD or Compton profile J(qz), which is represented under the impulse approximation as [7, 9]... 

The comparison of self-consistent and conventional GRECP versions by accuracy in calculations on the uranium and plutonium atoms can be found in paper [29]. 

In [90] the conclusion was made, that the accuracy in calculations of the parameters of the effective spin-rotational Hamiltonian is close to 20%. However, further ab initio calculations showed the situation is more complicated. 

Moreover, the accuracy in calculating the hardness of a mineral from crystallochemical data, both in relation to Mohs numbers and Khrushchev hardness classes, follows from Table 4.2.2. The hardness classes proposed by Khrushchev are sometimes described as absolute hardness (Bolewski, 1963 Hurlbut and Klein, 1977), which in our view does not appear justifiable, since with the hardness determination results, the conditions in which the measurement has been made are not specified, and in interpreting the results, corrections consequent upon deformations of the indent caused by hardness anisotropy or by brittleness are not considered. 

Thus, Eqs.(16) and (23) seem to give almost the same accuracy in calculating Ap, considering that competitive growth rate of polymer particles with different size is not necessarily well understood (12). ... 

Two-dimensional ECHO employs multiple windows of the heart, and each view provides a wedge-shaped image. Windows most commonly used include parasternal long- and short-axis and apical two-and four-chamber views (Fig. 11-6). These views are processed onto a videotape to produce a motion picture of the heart. 2D ECHO renders increased accuracy in calculating ventricular volumes, wall thickness, and degree of valvular stenosis compared with M-mode ECHO. Patient-specific calculated parameters such as ejection fraction and wall thickness are compared with standardized values (population-... 

Prediction of the overtone vibrational spectra of the CX3Y methylhalides can be based on the effective local and normal mode model Hamiltonian. D parameter, differs from De parameter of the Morse potential by E0 energy of zero-point vibrations, coincides with dissociation energy of separated C-Y bond with experimental accuracy in calculations using minimal basis set, if the correlation... 

For differential methods, moderate mathematical efforts are required. However, the accuracy in calculations of the rate is low since numerical or graphical differentiation is used to determine the rate values from concentration vs time diagrams (Figure 10.10). 

Figure 2 shows the pressure and temperature domain of accuracies in calculating the enthalpy of steam. When the pressure is less than 50 atm, the equation of state calculates the enthalpy departure of steam to within 1.1 cal/g. 

As discussed already in the introduction, the calculations of molecular parity nonconservation effects do at present not reeich the accuracy of the computations of atomic parity violating effects. This can mainly be attributed to additional difficulties due to vibrations and rotations of the molecule — complicating factors which are of course absent in atomic systems. At present, the rovibronic influences on parity violating effects in polyatomic molecules appear to be much more important than for instance radiative corrections and contributions from continuum states, which are vital to achieve the desired accuracy in calculations of parity violation in atoms. 

Adverse reactions are difficult to reverse or control accuracy in calculations and administration of dmg dose, therefore, are very critical. 

The ring H- and C-chemical shifts of 8 aldofuranoses have been recorded in DMSO-de and those of 14 aldopyranoses in DMSO-de as well as D2O, to assess the solvent dependencies and the accuracy in calculated predictions of chemical shifts. A new method for determining the absolute configuration of optically active secondary alcohols (menthol, cholesterol, etc.) involves measurement of the differences in the pyridine-induced chemical shifts of their P-d- and P-l-fucofuranosyl derivatives. ... 

Little accuracy in calculation of vapor pressure is lost by this simplification because the temperature range over which cleaning solvents are used Is quite narrow. The gain provided by this simplification Is that only two data points (values of temperature and corresponding vapor pressure) must be known for a preliminary estimate of the Antoine coefficients "A" and "B." And often with little-used or newly developed solvents, only two data points are posted In scientific or commercial literature - the normal boiling point and the vapor pressure at 20 or 25°C. 

The problem of how to account for different levels of accuracy in calculations at different points on the potential energy surface goes back a long way and there have been many partial solutions. The atom-in-molecules method of Moffitt [9], the diatomics-in-molecules method of Ellison [10], and the counteipoise model of Boys [11] are all successful in some respects. Unfortunately none of them are helpful for the most commonly met problem by those who are ti ng to fit potential functions to data, which is how to join up data produced by different methods on different regions of the surface. I believe there is no answer to this except scientific judgement... 

Substituting the specified values of ISTco, ki.andfegivesF = 0.2866 atm. This is the partial pressure of H2 in the outlet from the reactor. An extra significant figure has been carried in the calculation of Y for accuracy in calculating the required inlet partial pressure of O2, as shown below. 

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