๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Chemical shifts in donor substituted polycyclic aromatics

โœ Scribed by A. Zweig; J.E. Lancaster; M.T. Neglia

Publisher
Elsevier Science
Year
1967
Tongue
French
Weight
343 KB
Volume
23
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Multidimensionality of delocalization in
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
โœ Stijn Fias; Sofie Van Damme; Patrick Bultinck ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 238 KB

## Abstract The aromaticity and localโ€aromaticity of a large set of polycyclic aromatic hydrocarbons (PAHs) is studied using multicenter delocalization indices from generalized population analysis and the popular nucleus independent chemical shift (NICS) index. A method for the fast computation of

13C Chemical-shift tensors in an analogo
13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds
โœ Dewey H. Barich; Julio C. Facelli; Jian Zhi Hu; D. W. Alderman; Wei Wang; Ronald ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 186 KB

## Abstract The ^13^C principal values of the chemicalโ€shift tensor for fluorene, carbazole, dibenzofuran and dibenzothiophene were determined with the FIREMAT and PHORMAT experiments. Theoretical calculations (DFT) of the tensors were used as an aid to spectral assignment of the tensors, particula

Accurate prediction of proton chemical s
Accurate prediction of proton chemical shifts. I. Substituted aromatic hydrocarbons
โœ Bing Wang; Ulrich Fleischer; James F. Hinton; Peter Pulay ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 147 KB

## Abstract Fortyโ€five proton chemical shifts in 14 aromatic molecules have been calculated at several levels of theory: Hartreeโ€“Fock and density functional theory with several different basis sets, and also secondโ€order Mรธllerโ€“Plesset (MP2) theory. To obtain consistent experimental data, the NMR s