Unambiguous

It is strictly for convenience that certain conventions have been adopted in the choice of a standard-state fugacity. These conventions, in turn, result from two important considerations (a) the necessity for an unambiguous thermodynamic treatment of noncondensable components in liquid solutions, and (b) the relation between activity coefficients given by the Gibbs-Duhem equation. The first of these considerations leads to a normalization for activity coefficients for nonoondensable components which is different from that used for condensable components, and the second leads to the definition and use of adjusted or pressure-independent activity coefficients. These considerations and their consequences are discussed in the following paragraphs. 

Wiswesser line notation The Wiswesser line-formula notation (WLN) is a method for expressing the more usual graphical structure of a chemical compound as a linear string of symbols. The resulting alternative notation is unambiguous, short and particularly suitable for computer processing and retrieval but can also be understood easily by chemists after minimal training in its use. 

When used in the 3D inspection system PS-4 is configured only for recording of A-scan data with attached unambiguous 3D transducer position and orientation information, since the reeonstruction is done in the attached 3D UltraSIM/UlRecon reconstruction module. 

In the case of Langmuir monolayers, film thickness and index of refraction have not been given much attention. While several groups have measured A versus a, [143-145], calculations by Knoll and co-workers [146] call into question the ability of ellipsometry to unambiguously determine thickness and refractive index of a Langmuir monolayer. A small error in the chosen index of refraction produces a large error in thickness. A new microscopic imaging technique described in section IV-3E uses ellipsometric contrast but does not require absolute determination of thickness and refractive index. Ellipsometry is routinely used to successfully characterize thin films on solid supports as described in Sections X-7, XI-2, and XV-7. 

In a more favourable case, the wavefiinction ]i might indeed correspond to an eigenfiinction of one of the operators. If = //, then a measurement of A necessarily yields and this is an unambiguous result. Wliat can be said about the measurement of B in this case It has already been said that the eigenfiinctions of two commuting operators are identical, but here the pertinent issue concerns eigenfunctions of two operators that do not conmuite. Suppose / is an eigenfiinction of A. Then, it must be true that... 

Fundamentally, the conditions for lasing are detemiined unambiguously once the populations and coherences of the system density matrix are known. Yet, we have been unable to find in the literature any simple criterion for lasing in multilevel systems in temis of the system density matrix alone. Our conjecture is that entropy, as... 

Schlager H and Arnold F 1985 Balloon-borne fragment ion mass spectrometry studies of stratospheric positive ions unambiguous detection of H (CH3CN), (H20)-clusters Pianet. Space Sc/. 33 1363-6... 

The Fresnel equations predict that reflexion changes the polarization of light, measurement of which fonns the basis of ellipsometry [128]. Although more sensitive than SAR, it is not possible to solve the equations linking the measured parameters with n and d. in closed fonn, and hence they cannot be solved unambiguously, although their product yielding v (equation C2.14.48) appears to be robust. 

The presence of the half-odd quantum number j in Eq. (69) is potentially a physically measurable consequence of geomehic phase, which was first claimed to have been detected in the spectrum of Naa [16]. The situation is, however, quite complicated and the first unambiguous evidence for geometric phase in Nas was reported only in 1999 [17],... 

To be able to represent the constitution in an unambiguous and unique manner... 

The major significance of chemical nomenclature or notation systems is that they denote compounds in order to reproduce and transfer them from one coding to another, according to the intended application. As each coding may not include all the pieces of information in the other coding, or may have interpre table coding rules, the transformation is not always unambiguous and unique. 

A nomenclature or notation is called unambiguous if it produces only one structure. However, the structure could be expressed in this nomenclature or notation by more than one representation, all producing the same structure. Moreover, uniqueness" demands that the transformation results in only one - unique -structure or nomenclature, respectively, in both directions. 

Neither a trivial name nor the systematic nomenclature, which both represent the structure as an alphanumerical (text) string, is ideal for computer proccs.sing. The reason is that various valid compound names can describe one chemical structure (Figure 2-6). As a consequence, the name/structure correlation is unambiguous but not unique. Nowadays, programs can translate names to structures, and. structitrcs to names, to make published structures accessible in electronic journals (see also Chapter (I, Section 2 in the Handbook). 

UJPAC nomenclature standardized systematic classification include stcrcochcmistr) widespread unambiguous allow reconstruction extensive nomenclarurc rules altcrnalivc names are allow-ed complicated names... 

The great advantage of WLN codes is their compactness. Both compactness and unambiguity are achieved only by a complex set of rules, which make the notation difficult to code and error-prone. Since much information had been stored in the WLN code (functional groups, fragments, etc.), much effort was spent in the devel-... 

Figure 2-S. Different WLN codes could be obtained from a structure (ambiguity) but, based on the rules, only the one on the right-hand side is allowed, in order to achieve unambiguity.

Two simple examples (Figure 2-8) should illustrate the problem of finding a im-ique coding (see Section 2.5.2). Although a series of different sequential arrangements of the symbols is conceivable, only one sequence, called unambiguous, is allowed as WLN code. 

A special extension of SMILES is USMILES (sometimes described as Broad SMILES) [23-25]. This Unique SMILES of Daylight is a canonical representation of a structure. This means that the coding is independent of the internal atomic numbering and results always in the same canonical, unambiguous, and unique description of the compound, granted by an algorithm (see Section 2.5.2). 

ROSUAL simple code, easy to leani fast data exchange format includes stcrcochcmistiy unambiguous no support for coding reactions not unique... 

SMILES simplest linear code easy to learn fast data exchange formal supports Markush, slcrcochcmistiy, and reaction coding unambiguous not unique (except Unique SMfl FS) some problems with aromaticity perception... 

If the indexing of the atoms is changed, the CT will have a different appearance. Thus, the representation of a chemical structure in a CT is unambiguous but not unique, which can only be achieved by canonicalization (see below). 

Various methods have been developed for a unique and unambiguous numbering of the atoms of a molecule and thus for deriving a canonical code for this molecule [76]. Besides eigenvalues of adjacency matrices [77], it is mainly the Morgan Algorithm that is used [79]. 

Figure 2-42. The Morgan Algorithm generates an unambiguous and unique numbering of phenylalanine (see Tutorial, Section 2,S,J,1).

Figure 2-68. Different possibilities for the display of stereochemistry the one In the middle is not unambiguous and therefore Is not allowed.

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