๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A CDOE/INDO LMO study of the nuclear spin-spin coupling constants between directly bonded C-H and C-C atoms

โœ Scribed by C. Alsenoy; H. P. Figeys; P. Geerlings


Publisher
Springer
Year
1980
Tongue
English
Weight
636 KB
Volume
55
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Studies on the NMR contact shifts induce
โœ I. Morishima; K. Endo; T. Yonezawa ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 352 KB

lIf and 13C NMR contact shifts have been observed for chloroform, methylene cblorido and phenylacetylene in the presence of di-tertbutyl nitroxido radical (DBNO). Upfield and downfield contact shifts were observed for 1~ and 13f.2 NMR resonances, respectively. The relative values of 13C contact shif

Influence of the INDO parameterization o
โœ R. H. Contreras; A. R. Engelmann; G. E. Scuseria; J. C. Facelli ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 542 KB

## Abstract Alterations have been introduced in the semiโ€empirical INDO parameters in order to study their influence on the Fermi contact term of the indirect spinโ€“spin coupling constants as calculated by the finite perturbation theory (FPT). For this purpose a set of molecules containing hydrogen,

Theoretical study of the 1J(13C13C) indi
โœ V. Galasso ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 350 KB

Ab initio calculations using the equations of motion approach are reported for 'J( 13C"C) of the bridgehead bond in [ 1.1.1 I-, 12.1.1 I-, [2.2.1 I-, [2.2.2]-, [3.2.1 ]-propellane, bicyclobutane, bicyclopentane, bicyclohexane and tetracyclopentane. The results give an overall picture of the influenc

Inclusion of hydrogen p orbitals in the
โœ J. C. Facell; R. H. Contreras ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 494 KB

## Abstract Hydrogen 2__p__ orbitals have been introduced into the basis set to calculate the Fermi contact term of spinโ€“spin coupling constants using the FPT INDO method. Different coupling constants show different sensitivity to these hydrogen polarization functions. Some improvements are found f