## Abstract The calculation of __gauche__ coupling constants from substituent electronegativities by a method which takes into account the orientation of the substituents is described. This correlation has been derived from the coupling constants of disubstituted ethanes and has been applied to the
Calculation of the “Optical Electronegativity” of Transition Metal Ions from NQR Coupling Constants
✍ Scribed by Dr. P. Machmer
- Publisher
- John Wiley and Sons
- Year
- 1969
- Tongue
- English
- Weight
- 224 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
✦ Synopsis
ports the structure 2 H3P04 . HzO. In the case of an oxonium salt H3O'HzP04-. H3P04, however, two short and two long bonds should be observed in the anionic PO4 tetrahedron.
📜 SIMILAR VOLUMES
## Abstract The application of theoretical methods based on the density functional theory with hybrid functionals provides good estimates of the exchange coupling constants for polynuclear transition metal complexes. The accuracy is similar to that previously obtained for dinuclear compounds. We pr
The application of broken symmetry density functional calculations to homobinuclear and heterobinuclear transition metal complexes produces good estimates of the exchange coupling constants as compared to experimental data. The accuracy of different hybrid density functional theory methods was teste