Calculation of spectral density for translational nuclear spin diffusion
β Scribed by L Pasemann; H Schneider
- Book ID
- 103187142
- Publisher
- Elsevier Science
- Year
- 1973
- Weight
- 373 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0022-2364
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Decomposition of an arbitrary cartesian tensor expressed in its principal axis system into two axially symmetric cartesian tensors greatly facilitates the calculation of spectral densities, the latter being the Fourier transform of correlation functions involving ( ) elements of those tensors. A str
Density functional theory, in particular, with the Becke-3-parameter-Lee-Yang-Parr (B3LYP) hybrid functional, has been shown to be a promising method for the calculation of indirect nuclear spin-spin coupling constants. However, no systematic investigation has so far been undertaken to evaluate the