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Figure 2
SCHAKAL representations (Keller & Pierrard, 1999BB24) of the clusters of (a) L-alanine, (b) L-cysteine and (c) L-threonine (left to right) used in most of the optimizations consisting of 15 molecules each. The respective unit cells are included. The central molecule which is geometry optimized is highlighted.

ISSN: 2053-2733
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