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orientational sampling schemes based on four dimensional polytopes基于四维多面体定向抽样方案
Symmetry 2010, 2, 1423-1449; doi:10.3390/sym2031423
OPEN ACCESS
symmetry
ISSN 2073-8994
/journal/symmetry
Article
Orientational Sampling Schemes Based on Four Dimensional
Polytopes
Salvatore Mamone , Giuseppe Pileio and Malcolm H. Levitt
School of Chemistry, University of Southampton, University Road, Southampton SO17 1BJ, UK;
E-Mails: sm78@soton.ac.uk (S.M.); g.pileio@soton.ac.uk (G.P.)
Author to whom correspondence should be addressed; E-Mail: mhl@soton.ac.uk.
Received: 4 February 2010; in revised form: 27 May 2010 / Accepted: 30 June 2010 /
Published: 7 July 2010
Abstract: 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.
¨
Keywords: polytope; polychora; group theory; Schlafli symbols; powder averaging;
orientational sampling; solid-state nuclear magnetic resonance
1. Introduction
In general, physical properties are anisotropic, meaning that they depend on the orientation of the
object of interest in three-dimensional space, defined with respect to an external reference frame. For
example, the magnetic resonance response of soli
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