Orientational Sampling Schemes Based on Four Dimensional Polytopes

Symmetry

Salvatore Mamone¹  Giuseppe Pileio¹ 

[1] School of Chemistry, University of Southampton, University Road, Southampton SO17 1BJ, UK

关键词: polytope;    polychora;    group theory;    Schl¨afli symbols;    powder averaging;    orientational sampling;    solid-state nuclear magnetic resonance;   

DOI  :  10.3390/sym2031423

来源: mdpi

【 摘 要 】

The vertices of regular four-dimensional polytopes are used to generate sets of uniformly distributed three-dimensional rotations, which are provided as tables of Euler angles. The spherical moments of these orientational sampling schemes are treated using group theory. The orientational sampling sets may be used in the numerical computation of solid-state nuclear magnetic resonance spectra, and in spherical tensor analysis procedures.

【 授权许可】

CC BY   
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.