… Abstract: We present a time-resolved multiple-quantum NMR experiment which allows us to
determine the spatial distribution of atoms in materials lacking long-range order; in particular …

… CdSe molecular clusters were prepared by arrested … In order to isolate the clusters as
molecular solids, two … Se NMR spectra of the three sizes of cluster are shown in Fig. 1. Selenium …

… as the cluster size increases. Additionally, the electric field, which is zero in periodic solids,
is non-zero in all but the largest clusters [Citation68], possibly affecting the computed NMR …

… and MD experiments has already proven useful for studying other … NMR and MD analysis
of magnetic dipole-dipole interactions, resulting in a quantitative description of cation clustering …

… single-pulse excitation, recording NMR spectra of solids usually requires two-pulse echo …
distinguishable species: water in two-dimensional clusters and water in the hydration shells of …

… solid is approximated as a cluster, centered on the atom of interest, with the termination of
bonds, usually by H. The accuracy of the calculation increases with cluster size, as does the …

… ► We review the DFT GIPAW method for the calculation of NMR parameters in solids. ► …
where the cluster approximation is by far too much limited for the description of realistic solids, …

… In solids, the orientation dependence of NMR frequencies causes powder patterns for each
nuclear spin. In most cases, this anisotropic contribution needs to be removed to obtain site-…

… A possibility for describing infinite solids implies their approximation by clusters which
are terminated with nuclei such as 1 H. Alternative approaches involve the use of periodic …

… As a demonstration, the results of phase-incremented MQ NMR studies of clustering in
solids are shown in Figs. 3a and 3b for different spatial distributions that were determined …