Alignment techniques

Another matter is the consistency of the molecular quantum similarity matrix Z. The MQSM produced by a specific alignment technique for a given molecular pair of the set of molecules that construct Z should not be contradictory with the computed MQSM for the other pairs of molecules. To illustrate this point, consider the Euclidean distance, as defined by the square root of Eq. [13]  

if an MQSM Zab has been obtained with one of the alignment techniques, a Euclidean distance can be calculated. Naturally, the fundamental 

As a final note, on several occasions, alignment-free methods have been used to quantify molecular similarity in the field of molecular quantum similarity, these methods have not yet fovmd extensive application. One method to obtain molecular quantum similarity measures without the need for molecular alignment was published by Boon et al. They use statistical techniques, more specifically, the autocorrelation function. This technique offers an interesting alternative method for similarity studies by removing completely the important obstacle of molecular alignment. 

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One shaft is rotated to determine the vertical and horizontal readings as in the other alignment techniques. 

Jackson, C.J., Cold and Hot Alignment Techniques of Turbomacliinery, Proceedings of the 2nd Turbomacliinery Symposium, Texas A M University, pp. 1-7, 1973. 

There are potential errors or problems that limit the accuracy of this alignment technique. The common ones include data recording errors, failure to correct for indicator sag, mechanical looseness in the fixture installation, and failure to properly zero and/or calibrate the dial indicator. 

In polymers one will often particularly be interested in very slow dynamic processes. The solid echo technique just described is still limited by the transverse relaxation time T being of the order of a few ps at most. The ultimate limitation in every NMR experiment however, is not T but the longitudinal relaxation time T, which for 2H in solid polymers typically is much longer, being in the range 10 ms to 10 s. The spin alignment technique (20) circumvents transverse relaxation and is limited by Tx only, thus ultraslow motions become accessible of experiment. 

One of the primary interests in defect complexes that contain hydrogen has concerned the possible motion of the light hydrogen atom. The stress-induced alignment techniques pioneered by Watkins and Corbett (1961) and Corbett et al. (1961) provide a means to detect and characterize such motions. 

The BC configuration and the H motion of interest are shown in Fig. 23. The stress-induced-alignment technique described in Sec. II.3 was used by Stavola et al. (1988b) to measure the kinetics of such an H jump. The longitudinal H stretching mode that is used as a probe of the center s orientation lies at 1903 cm-1 at low temperature (Sec. III. 1). 

Performance of Polarized LEDs Produced by Different Alignment Techniques and with Different EL Materials... 

Alignment Technique Device Structure3 DREb Luminancec (cd/rn2) t cxtd (cd/A) Amax (nrn) color Ref. 

In addition, traditional ligand-based 3D models were created in order to compare the results from structure-based and atom-based alignment techniques. 

Stemme, G., Kittilsland, G., New fluid filter structure in silicon fabricated using a self-aligning technique. Appl. Phys. Lett. 1998, 53, 1566-1568. 

The work by Cronet et al [136] made dear that general roles for residue exchanges in membrane helices are hard to derive because residue preferences are very position specific. A good Day half-type matrix can therefore not be derived fin- the transmembrane helices, which makes it difficult to me standard sequence-alignment techniques ... 

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