Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Relative accuracy

The CC2 model performes very different for static hyperpolarizabilities and for their dispersion. For methane, CC2 overestimates 70 by a similar amount as it is underestimated by CCS, thus giving no improvement in accuracy relative to the uncorrelated methods CCS and SCF. In contrast to this, the CC2 dispersion coefficients listed in Table 3 are by a factor of 3 - 8 closer to the CCSD values than the respective CCS results. The dispersion coefficients should be sensitive to the lowest dipole-allowed excitation energy, which determines the position of the first pole in the dispersion curve. The substantial improvements in accuracy for the dispersion coefficients are thus consistent with the good performance of CC2 for excitation energies [35,37,50]. [Pg.137]

The light intensity, studied in the reaction flask using uranyl oxalate as an acti-nometer, was determined with considerable accuracy. Relative light intensities are shown in Figure 2 in approximately the correct positions in the flask cross sections. The light intensity in the center of the flask is set equal to 1.00. [Pg.411]

Fgenesh+ was used to improve the accuracy of prediction for 49 genes. 37 of them were predicted using D. melanogaster s own proteins, already deposited in protein databases. Analysis of these predictions demonstrates that even for such cases prediction of accurate gene structure may not be trivial, although in most cases Fgenesh+ improved the prediction accuracy relative to ab initio methods. [Pg.116]

Accuracy Relatively high variability at both ends of curve Relatively higher variability at the lower end mainly because of the low signal... [Pg.43]

Figure 9.8 Schematic of a reflectron time of flight mass analyser. Reflectron lenses act as an electrostatic mirror to both increase the effective length of the flight path, but also to compensate for ion kinetic energy variations (Uq), resulting in higher mass accuracy relative to purely linear time of flight mass analyzers. Consequently, linear time of flight analyzers are nowadays largely obsolete. Figure 9.8 Schematic of a reflectron time of flight mass analyser. Reflectron lenses act as an electrostatic mirror to both increase the effective length of the flight path, but also to compensate for ion kinetic energy variations (Uq), resulting in higher mass accuracy relative to purely linear time of flight mass analyzers. Consequently, linear time of flight analyzers are nowadays largely obsolete.
All in all, with their simplicity, accuracy, relative low cost, and wide applicability, coulometric techniques deserve serious consideration by the analyst. [Pg.108]

PM3, which is the most recent addition in the arsenal of semi-empirical MO methods [5] appears to be an improvement over AMI as far as the accuracy of Af/f is concerned. Nitrobenzene, predicted to be planar, is an example where the caleulated zi//f=14.5 kcal/mol is very near the experimental value of 15.4 kcal/ mol. Much more experience must be gained with PM3 in order to judge its overall accuracy relative to AMI. [Pg.111]

In order to improve accuracy, relative scale is used at this time to minimize the difficulty when factors of different nature are mutually compared. [Pg.471]

Remondi B W (1985). Performing Centimeter Accuracy Relative Surveys in Seconds using GPS Carrier Phase. Ptoc 1st Int Symp on Precise Positioning, Rockville 15-19 April, 1985. [Pg.56]

It may be noted that at present only the cluster expansion methods are reliable for the investigation of the higher-order limiting laws. Also, the relative quality of different approximation methods is most often judged on the basis of comparison of calculated values for only a small number of thermodynamic coefficients. One compares values for the osmotic coefficient < > or the excess energy B = as determined by different methods, or else (for primitive model calculations) the values of the pair correlation functions of the ions at contact. While it is necessary that all of these coefficients be given with high accuracy, relatively little is known about the accuracy of various approximation methods in the determination of the other measurable coefficients summarized in Section 3. [Pg.129]

The alternative approach is the generic FF in which some or all the parameters are derived from atom-based properties. The DREIDING FF and the universal force field (UFF) are examples of this approach. They avoid the necessity of developing new parameters every time a new type of bond is encountered but can suffer from reduced accuracy relative to a specialist FF. The VALBOND FF takes elements from both approaches and uses a conventional para-metrization for all terms except the angle bend, where general but fitted atom-pair-based parameters are used. ... [Pg.459]

There have been a number of other investigations concerned with testing pultruded GFRP beams with various end support conditions. The primary purpose of these tests was to demonstrate that first-order shear deformation beam theory may be used to predict their small deflection response and to quantify its accuracy relative to classical shear-rigid beam theory. [Pg.459]

Wang et al. (47) developed a rapid and sensitive method to determine lovastatin in human plasma with sinvastatin as an internal standard using UHPLC-MS/MS. The analysis was carried out on an ACQUITY UPLC BEH Cig column. The calibration curve of this method was found to be linear over the concentration range of 0.025 to 50 ng/mL. The lower limit of quantification for lovastatin was 0.025 ng/mL. The interday and intraday precision (relative standard deviation) were less than 11%, and the accuracy (relative error) was within 6.0%. The analysis time was shorter than 1.7 min per sample, which met a high-throughput determination of biological samples. [Pg.288]


See other pages where Relative accuracy is mentioned: [Pg.7]    [Pg.132]    [Pg.369]    [Pg.341]    [Pg.30]    [Pg.21]    [Pg.30]    [Pg.298]    [Pg.146]    [Pg.248]    [Pg.7]    [Pg.74]    [Pg.248]    [Pg.3471]    [Pg.7]    [Pg.132]    [Pg.30]    [Pg.114]    [Pg.119]    [Pg.43]    [Pg.401]    [Pg.284]    [Pg.325]    [Pg.386]    [Pg.30]    [Pg.618]    [Pg.1278]    [Pg.495]    [Pg.169]    [Pg.75]    [Pg.109]    [Pg.376]    [Pg.1373]    [Pg.2]    [Pg.74]    [Pg.1343]   
See also in sourсe #XX -- [ Pg.74 ]




SEARCH



© 2024 chempedia.info