31 P and 13 C chemical shielding values, iso , were calculated for a series of phosphaalkenes X-P CY 2 with a variety of substituents such as X H, CH 3 , F, Cl, Br, OH, NH 2 , PH 2 , SiH 3 , CN and Y H, CH 3 , NH 2 , SiH 3 , using the GIAO procedure at the RHF/6-311 C G(d,p) and RHF/6-311 C G(2d,
β¦ LIBER β¦
Ab initio Calculations of NMR Parameters of Highly Coordinated Oxygen Sites in Aluminosilicates.
β Scribed by Christel Gervais; Mickael Profeta; Florence Babonneau; Chris J. Pickard; Francesco Mauri
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 10 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio calculation of NMR shielding i
β
A. B. Rozhenko; W. W. Schoeller; M. I. Povolotskii
π
Article
π
1999
π
John Wiley and Sons
π
English
β 158 KB
π 2 views
Ab Initio Calculation of Parity-Violatin
β
Guido Laubender; Robert Berger
π
Article
π
2003
π
John Wiley and Sons
π
English
β 110 KB
Accurate Determination of Nuclear Quadru
β
Debra J. Searles; Hanspeter Huber
π
Article
π
2003
π
John Wiley and Sons
β 52 KB
π 2 views
Ab initio Cluster Calculations of the El
β
M.G. Shelyapina; V.S. Kasperovich; B.F. Shchegolev; E.V. Charnaya
π
Article
π
2001
π
John Wiley and Sons
π
English
β 82 KB
π 2 views
Cover Picture: Ab Initio Calculation of
β
Guido Laubender; Robert Berger
π
Article
π
2003
π
John Wiley and Sons
π
English
β 20 KB
NMR spectroscopy in environmental chemis
β
Erkki Kolehmainen; Jari Koivisto; Vladimir Nikiforov; Mikael PerΓ€kylΓ€; Kari Tupp
π
Article
π
1999
π
John Wiley and Sons
π
English
β 71 KB
π 2 views
1 H and 13 C NMR spectra for seven chlorinated dibenzothiophenes (DBTs) were measured. Complete 1 H and 13 C NMR chemical shift assignments for 2, 8-and 3,7-dichloro-and 2,3,6,8-, 2,3,7,8-and 2,4,6,8-tetrachloro congeners are based on z-gradient selected inverse (proton detected) two-dimensional het