منابع مشابه
J Companion for Statistical Calculations
J is used for the development of algorithms for a variety of statistical calculations including means, medians and quartiles, frequency tabulations, variances and covariances, regression analysis, graphical presentation, analysis of variance, random number generation and simulation, nonparametric tests, and probability distributions. Apart from the first two sections the organization of the pap...
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The structural and energetic characteristics of O3–H2O complexes have been investigated by means of B3LYP, MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Six conformers were found for the O3–H2O complex. Two different intermolecular interactions were expected to participate in the formation of complexes, namely conventional O∙∙∙H hyd...
متن کاملHigher-order chemical sensing.
6.2. Orthogonality versus Independence 584 6.3. Cross-sensitivity and Diversity 585 6.4. Multiple Roles of Redundancy 585 7. Data Preprocessing 586 7.1. Baseline Correction 586 7.2. Scaling 587 7.2.1. Global Techniques 588 7.2.2. Local Techniques 588 7.2.3. Nonlinear Transforms 588 8. Drift Compensation 588 8.1. Univariate Drift Compensation 589 8.2. Multivariate Drift Compensation 589 9. Featu...
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The calculation of massive 2–loop operator matrix elements, required for the higher order Wilson coefficients for heavy flavor production in deeply inelastic scattering, leads to new types of multiple infinite sums over harmonic sums and related functions, which depend on the Mellin parameter N. We report on the solution of these sums through higher order difference equations using the summatio...
متن کاملThe Representation of the Chemical Bond in Quantum Chemical Calculations
The mathematical representation of chemical bonds in molecules is discussed. The molecule is viewed as a system of weakly interacting chemical bonds. The intrabond problems and the averaged electrostatic interbond interactions are handled at the . zeroth order, while the small interbond delocalization and dispersion effects are taken into account on the basis of the perturbation theory. A speci...
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ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 1942
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed019p148.3