Symmetry descriptors

Fibonacci numbers -> symmetry descriptors (O Merrifield-Simmons index) fieid effect -> electronic substituent constants fieid-fitting alignment -> aiignment ruies... 

Kier symmetry index - symmetry descriptors Kz index -> Hosoya Z matrix... 

Other specific symmetry descriptors are Hsted below. 

A molecular symmetry descriptor calculated as - total information content ... 

Fibonacci numbers symmetry descriptors (0 Merrifield-Simmons index)... 

This is a model for the assessment of log Phased on 363 molecular descriptors derived from the molecular topology and obtained from 6675 diverse chemicals, with r = 0.986 and s = 0.20 [Gombar and Enslein, 1996 Gombar, 1999]. Among the molecular descriptors considered are molecular weight, electrotopological state indices, Kier shape descriptors of order 1-7, and some symmetry descriptors. In particular, several descriptors are defined as the sum of the E-states of the atoms involved in the whole molecule or in predefined molecular fragments. 

The third group of descriptors consists of the directional WHIM symmetry descriptors (or d-WSYM indices) yi, 72, and 73, calculated as —> mean information content on the symmetry along each component with respect to the center of the scores ... 

WHIM descriptors, GETAWAYdescriptors, EVA descriptors, GRIND descriptors, VolSutf descriptors, quantum-chemical descriptors, molecular transforms, charge descriptors. Charged Partial Surface Area descriptors, delocalization degree indices, chirality descriptors, hydrogen-bonding descriptors, molecular surface, combined descriptors, and symmetry descriptors. 

Table 1 Allowed changes In some of the more important quantum numbers and symmetry descriptors tor atoms and molecules undergoing one-colour multiphoton transitions involving one k= 1), two k= 0 and 2) and three k= 1 and 3) photons...

Figure 2 High-field region of the H NMR spectrum of strychnine. The automatic interpretation results in an identification of peak patterns and the analysis of first-order spin systems. If the identification of a first-order system is not possible, the signal group is denoted a multiplet (M). The symbols ( , -h, , —) are symmetry descriptors for the considered multiplet...

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