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Aromatic Fluctuation

An interesting comparison between several aromaticity indices (harmonic oscillator model, nucleus-independent chemical shift, para-delocalization index, aromatic fluctuation index, multicenter indices, atoms-in-molecules theoretical indices and graph-theoretical indices) concluded that the most reliable ones are based on electron delocalization (08JCC1543). [Pg.70]

NBO)-based approaches (iv) aromatic fluctuation index (FLU) by M. Sola and coworkers (v) block-localized wavefunction (BLW) method by P. v. R. Schleyer and Y. Mo and (vi) energy decomposition analysis (EDA) by F. M. Bickelhaupt and coworkers. [Pg.358]

Sola "" aromatic fluctuation index (FLU) (describing the fluctuation of electronic charge between adjacent atoms in a given ring) ... [Pg.49]

Matito E, Duran M, Sola M (2005) The aromatic fluctuation index (FLU) a new aromaticity index based on electron delocalization. J Chem Phys 122 014109... [Pg.86]

Matito, E., Salvador, P, Duran, M., Sola, M. (2006). Aromaticity measures from fuzzy-atom bond orders (FBO). The aromatic fluctuation (FLU) and the para-delocahzation (PDI) indexes. J. Phys. Chem. A 110,5108-5113. [Pg.520]

Among the recently published works, the one which showed that the cyclic structures of water clusters open up to form a linear structure above a certain threshold electric field value a was a systematic ab initio study on the effect of electric field on structure, energetics, and transition states of trimer, tetramer, and pentamer water clusters (both cyclic and acyclic) [36], Considering c/.v-butadiene as a model system, the strength and the direction of a static electric field has been used to examine the delocalization energy, the probabilities of some local electronic structures, the behavior of electron pairs, and the electronic fluctuations [37]. Another recent work performed by Rai et al. focused on the studies using the DFT and its time-dependent counterpart of effects of uniform static electric field on aromatic and aliphatic hydrocarbons [38],... [Pg.368]

Fig. 6.12. A Typical CARS signal trajectory revealing the particle number fluctuations of 110-nm polystyrene spheres undergoing free Brownian diffusion in water. The epi-detected CARS contrast arises from the breathing vibration of the benzene rings at 1003cm 1. B Measured CARS intensity autocorrelation function for an aqueous suspension of 200-nm polystyrene spheres at a Raman shift of 3050 cm-1 where aromatic C-H stretch vibrations reside. The corresponding translational diffusion time, td, of 20 ms is indicated. (Panel B courtesy of Andreas Zumbusch, adapted from [162])... Fig. 6.12. A Typical CARS signal trajectory revealing the particle number fluctuations of 110-nm polystyrene spheres undergoing free Brownian diffusion in water. The epi-detected CARS contrast arises from the breathing vibration of the benzene rings at 1003cm 1. B Measured CARS intensity autocorrelation function for an aqueous suspension of 200-nm polystyrene spheres at a Raman shift of 3050 cm-1 where aromatic C-H stretch vibrations reside. The corresponding translational diffusion time, td, of 20 ms is indicated. (Panel B courtesy of Andreas Zumbusch, adapted from [162])...
Fluorometric detector Electrochemical detectors 1 x 10-11 g 1 x 105 For fluorescent species with conjugated bonding and aromaticity Relatively insensitive to temperature and flow fluctuations nondestructive can be used with gradient elution often, chemical derivatization is done on analytes to form fluorescent species uses deuteriem lamp for 190-400 nm or tungsten lamp for 350-600 nm... [Pg.166]

The most important and frequent winds in winter are the Bora, which blows from the northeast, and the south wind, which blows from the southeast. In summer, beneficial and characteristic breezes blow from south to north. These breezes are important in facilitating the accumulation of aromatic compounds in grapes during ripening by generating desirable temperature fluctuations. [Pg.289]


See other pages where Aromatic Fluctuation is mentioned: [Pg.440]    [Pg.142]    [Pg.186]    [Pg.50]    [Pg.444]    [Pg.3]    [Pg.440]    [Pg.142]    [Pg.186]    [Pg.50]    [Pg.444]    [Pg.3]    [Pg.1386]    [Pg.155]    [Pg.165]    [Pg.516]    [Pg.359]    [Pg.86]    [Pg.275]    [Pg.200]    [Pg.163]    [Pg.90]    [Pg.256]    [Pg.264]    [Pg.20]    [Pg.310]    [Pg.83]    [Pg.88]    [Pg.76]    [Pg.10]    [Pg.159]    [Pg.280]    [Pg.18]    [Pg.481]    [Pg.525]    [Pg.117]    [Pg.454]    [Pg.185]    [Pg.393]    [Pg.13]   
See also in sourсe #XX -- [ Pg.71 , Pg.73 , Pg.74 , Pg.322 ]




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