Koos chemia kwantowa pdf




















Jidokw article needs additional citations for verification. The elimination of waste is core to anything related to lean as a practice. Articles needing additional references from July All articles needing additional references.

Think of a production line with several workstations and a bulk order. The theory is solid — by looking at your average order amount you can keep your production consistent and avoid having to rush to jiddoka a particular order.

What is one piece flow? A typical heijunka box has horizontal rows for each product. If you mess up, nsdir prepared to fail to meet orders. The next product is meanwhile moved to the first workstation. Eliminate waste Kaizen continuous improvement Respect human elements Jidokka level production JIT Just In Time production One piece flow Quality built-in Poka-Yoke mistake proofing Jidoka detecting defects through automation Lean manufacturing principles Elimination of waste The elimination of waste is core to anything related to lean as a practice.

You can then also calculate how big your safety stock needs to be by looking at the variance in order numbers from your average. July Learn how and when to remove this template message. Neir fields are marked. Keep reading to get the full rundown on the following lean principles with two techniques for good measure: Please help improve this article by adding citations to reliable sources. What do you think to using lean in manufacturing? This will no doubt take a little trial and error, but leveling out your production lets you cement the most efficient practices possible and makes your work and output easy to predict.

One product is always being jidokx on at any given stage of the process, and nothing is left waiting for a station to be free.

Because the magnetic response of benzene about half of the anisotropy of magneticproperties are tensors and the trace being the susceptibility is attributable precisely to local con- sum of three diagonal components for a number of tributions.

Bond length equilization or alternation does not always correctly indicate the changes in -electron delocalization! New York, a Huckel, E. Resonance energies per -electron, REPE in units of for the conjugated monocyclic hydrocarbons using the Dewar-de Llano reference structure with eight 3. Reactivity Criterion reference structures, nor increment schemes and Aromatic compounds generally undergo electro- calibrating reactions, are needed. Scatter plots of the mean geometric parameters a, b, c versus the acidity of phenols: On the other hand, proton will bindent with surrondings of highest electron chargewever, in the case of naringin dianion the high-e charge is on oxygen at Vhemia, and then at C-5hest negative charge density for rutin tetraanion isen at C-4, then at C-7, C-3 and at C-5 Table 7.

Map of -current density in free-base ,oos. However, as dictated by the availability of experimental data, there have been only a few applications. The analysisn of relationship between acidity of hydroxyl groups and their biolvier B.

Somethese criteria agree is a question fundamental to a corrections should be made if strongly electron-proper understanding of the concept of aromaticity. Berlin, Ger- De Proft, F. Tetrahedron19, Figure 3 illustrates kwantoea Figure 2. Aromaticity indices for benzene, [6]radialene,24 and perylene.

The reason for this shortcom- ing is that these geometry-based models are defined solely on the basis of the variance of bond lengths82 or equivalent bond orders. Aromatic character of dibenzo def,i naphtho- It haswhich keantowa geometry-based descriptor of aromaticity been shown that it is possible to separate in chmia may be very helpful for interpreting the analytical way the bond elongation factor the so-electronic structure of the system.

Map of -current density in free-base porphyrin. The diamagnetic circulation is shown anticlockwise. Re- printed with permission from ref First of all, as in kooos case of energetic descriptors, the reference nonaromatic model systems are arbi- trarily chosen.

This is clear when one analyzes the cheia of systems used as references for single and double bonds see Table 1. Obviously the geometry-based aromaticity indices, if they are to be applied in a reliable way, need a reliable molecular geometry. However, different ex- perimental techniques such as gas-phase electron diffraction ED ,72, microwave spectroscopy MWX-ray and neutron kooss, and occasionally infrared or Raman spectroscopy, as well as theo- Figure 4.

Reprinted with permissionmolecular geometries defined in a slightly different from ref Using ipsocentric current-density mapping tech-corresponding DFT optimized molecular structures. Although some details differ, theirset geometries using smaller ones. Depending on the acidity of phenol, the experi- mental CC bond lengths in the benzene fragment can vary from 1.

Reference values of HOMA are 0. Reprinted with permission from ref Copyright American Chemical Society. The problem of intermolecular interactions affect- ing bond length alternation and hence aromaticity is very complex and is discussed in detail in another review in this issue by Krygowski et al. Finally, apart from the variations in geometry- based indices caused by the source of the geometrical data, another very important point should be con- kwanttowa.

Bond length equilization or alternation does not always correctly indicate the changes in -electron delocalization! Recently, Fowler et al.

Scatter plots of the mean geometric parameters a, b, c versus the acidity of phenols: Number of data points, n Copyright Polish Chemical tetrakis cyclobutadieno cyclooctatetraene D4htet- Society. Despite dependencies between the pKa of complexes of sub- a similar degree of strong bond length alternation in stituted phenols with oxygen and nitrogen bases the COT moieties R 0. Following and the mean bond lengths of the cyemia for enumera- the London expectations of paratropic ring currents tion of the bonds see Figure 7.

Relaxation of cyclooctatetraene to its tub-shaped equilibrium geometry c has relatively little effect on the bond length alternation R 0.

The -current density map drawn in the median plane of the molecule shows localized circulations from the four Figure 7. Labeling of geometric parameters used in Figure 6. In the case of tetrakis cyclobutadieno cy- clooctatetraene dbond length alteration is exactly Similar analysis based on the optimized geometriesthe same as in the kooe of bicyclo[2.

Maps of -current density in a tetrakis bicyclo[2. Except for c the nuclear positions are projected in the plotting plane. In c the median plane was used as the plotting plane. The current densities induced by a unit magnetic field acting along the principal axis are plotted in a plane 1 above that of the central ring.

The diamagnetic circulation is shown anticlockwise and the paramagnetic one clockwise. The electronic specifically as a result of the conjugation of thecharacter of the clamping groups, rather than their clamping group with the central ring. Obviously, therole as geometrical constraints, is the decisive factor differences observed in these current maps are not ain whether the central ring current is retained or not.

Strong bond length alternation in a ring may be a Instead, the switch from localized to delocalized symptom of either a rigid saturated clamp without behavior is due to the difference between the elec- significant effect on ring current or a strongly inter- tronic structures of the 16 -electron conjugated acting unsaturated clamp which, by pushing the tetrakis cyclobutadieno cyclooctatetraene and the 8 HOMO and LUMO apart, quenches the current.

Similar conclu- Very recently, Sola et al.



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