Gaussian Quadrature for Computation of the Auxiliary Integral Bn (y)

The Gauss-Legendre quadrature formula is suggested to be used for computation of the auxiliary integral B11 (y) in case when y takes values near to zero. It is a111alytically shown and numerically tested that the precision of the results raises as y approaches zero. Owing to this property, this numerical procedure may be helpful in computing overlap integrals over Slater type orbita1s with nearly equal exponents

Hybridization in Highly Strained Small Ring Hydrocarbons. II. Methylene Biscyclopropylidene and Dimethylene Biscyclopropylidenes

The hybridization in methylene biscyclopropylidene, 1,1\u27-dimethylene biscyclopropylidene, and 1,2-dimethylene biscyclopropylidene is considered by applying the method of maximum overlap. The results show variations in hybrids describing exocyclic double bonds: for ring carbons from sp~.ss to sp2-85, and for off-ring carbons from sp1-10 to sp1-41, depending on the immediate surounding. Bond overlaps for C=C consequently vary somewhat, the largest bond overlap being of the central C=C bond connecting two three membered rings. The results of the maximum overlap calculations are compared with available experimental data

Hybridization in Highly Strained Small Ring Hydrocarbons. I. Tricyclo- and Tetracyclopropylidene

The hybridization in tricyclopropylidene and tetracyclopropylidene has been calculated by the method of maximum overlap. The results show that the hybrids describing the central ring have more s character than those in cyclopropane and cyclobutane: sp3·02 and sp3·31 as compared to sp3·86 and sp3·47 respectively. Consequently the central bonds in the two molecules investigated . are stabilized by the cyclopropyl substitutions. An interesting comparison between the maximum overlap hybridization and hybridization based on more elaborated calculations is made

Modifications of physical properties of coconut oil and anhydrous milk fat as a result of blending

The role of fats in food technology is mainly to develop the desired consistency. The simplest way to reach this goal is the blending of different fats. The aim of our work was to study the solidification and melting properties of blends of coconut oil and anhydrous milk fat. Pure fats and their 25–75%, 50–50%, and 75–25% blends were investigated. Melting profile and isotherm crystallization were measured by pNMR. Non-isotherm melting and solidification were detected by differential scanning calorimetry (DSC). Possible applications of the blends were established. Results show that AMF and coconut oil has limited miscibility, which is dependent on the temperature. Below 22 °C AMF is the softening component, above 22 °C the effect is inverse. Coconut oil accelerates solidification of AMF, however, basic crystal forms of AMF remained

About a Relation Between Slater and Gaussian Functions

Using the generating function of Hermite polynomials a relation between Slater and Gaussian functions is presented, which formally can be interpreted as the inverse of the integral transformation used by Shavitt and Karplus

Synthesis and Characterization of Nanostructured Oxide Layers on Ti-Nb-Zr-Ta and Ti-Nb-Zr-Fe Biomedical Alloys

Nanoporous/nanotubular complex oxide layers were developed on high-fraction β phase quaternary Ti-Nb-Zr-Ta and Ti-Nb-Zr-Fe promising biomedical alloys with a low elasticity modulus. Surface modification was achieved by electrochemical anodization aimed at the synthesis of the morphology of the nanostructures, which exhibited inner diameters of 15–100 nm. SEM, EDS, XRD, and current evolution analyses were performed for the characterization of the oxide layers. By optimizing the process parameters of electrochemical anodization, complex oxide layers with pore/tube openings of 18–92 nm on Ti-10Nb-10Zr-5Ta, 19–89 nm on Ti-20Nb-20Zr-4Ta, and 17–72 nm on Ti-29.3Nb-13.6Zr-1.9Fe alloys were synthesized using 1 M H3PO4 + 0.5 wt% HF aqueous electrolytes and 0.5 wt% NH4F + 2 wt% H20 + ethylene glycol organic electrolytes

Hybridization in Highly Strained Small Ring Hydrocarbons. I. Tricyclo- and Tetracyclopropylidene

The hybridization in tricyclopropylidene and tetracyclopropylidene has been calculated by the method of maximum overlap. The results show that the hybrids describing the central ring have more s character than those in cyclopropane and cyclobutane: sp3·02 and sp3·31 as compared to sp3·86 and sp3·47 respectively. Consequently the central bonds in the two molecules investigated . are stabilized by the cyclopropyl substitutions. An interesting comparison between the maximum overlap hybridization and hybridization based on more elaborated calculations is made

Solder Paste Scooping Detection by Multilevel Visual Inspection of Printed Circuit Boards

In this paper we introduce an automated Bayesian visual inspection framework for Printed Circuit Board (PCB) assemblies, which is able to simultaneously deal with various shaped Circuit Elements (CE) on multiple scales. We propose a novel Hierarchical Multi Marked Point Process (HMMPP) model for this purpose, and demonstrate its efficiency on the task of solder paste scooping detection and scoop area estimation, which are important factors regarding the strength of the joints. A global optimization process attempts to find the optimal configuration of circuit entities, considering the observed image data, prior knowledge, and interactions between the neighboring CEs. The computational requirements are kept tractable by a data driven stochastic entity generation scheme. The proposed method is evaluated on real PCB data sets containing 125 images with more than 10.000 splice entities

Tree allocation dynamics beyond heat and hot drought stress reveal changes in carbon storage, belowground translocation and growth

Heatwaves combined with drought affect tree functioning with as yet undetermined legacy effects on carbon (C) and nitrogen (N) allocation. We continuously monitored shoot and root gas exchange, δ13CO2 of respiration and stem growth in well-watered and drought-treated Pinus sylvestris (Scots pine) seedlings exposed to increasing daytime temperatures (max. 42°C) and evaporative demand. Following stress release, we used 13CO2 canopy pulse-labeling, supplemented by soil-applied 15N, to determine allocation to plant compartments, respiration and soil microbial biomass (SMB) over 2.5 wk. Previously heat-treated seedlings rapidly translocated 13C along the long-distance transport path, to root respiration (Rroot; 7.1 h) and SMB (3 d). Furthermore, 13C accumulated in branch cellulose, suggesting secondary growth enhancement. However, in recovering drought-heat seedlings, the mean residence time of 13C in needles increased, whereas C translocation to Rroot was delayed (13.8 h) and 13C incorporated into starch rather than cellulose. Concurrently, we observed stress-induced low N uptake and aboveground allocation. C and N allocation during early recovery were affected by stress type and impact. Although C uptake increased quickly in both treatments, drought-heat in combination reduced the above–belowground coupling and starch accumulated in leaves at the expense of growth. Accordingly, C allocation during recovery depends on phloem translocation capacity