A novel approach to efficient powder averaging in magnetic sphere. Because the computation time is proportional to the resonance is presented. The method relies on a simple numerical number of crystallite orientations and because high-quality procedure which based on a random set of crystallite orie
Computer simulations in solid-state NMR. III. Powder averaging
✍ Scribed by Mattias Edén
- Publisher
- John Wiley and Sons
- Year
- 2003
- Tongue
- English
- Weight
- 451 KB
- Volume
- 18A
- Category
- Article
- ISSN
- 1546-6086
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract This article is the first in a series of publications that discuss the basics of the writing of computer programs for simulating solid‐state NMR experiments with static and rotating samples. The present article gives an account of the relevant NMR theory needed for writing NMR simulatio
We investigate Gaussian spherical quadrature as a method for calculating orientational averages in solid-state NMR. For the case of magic-angle-spinning sideband amplitudes of isolated spins-1/2, we demonstrate the superiority of Gaussian spherical quadrature over other orientational averaging metho