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Figure 3
Changes in basic stretching frequencies calculated as ν(molecule) − ν(crystal). Filled bars: calculation with experimentally determined cell parameters; empty bars: calculation with optimized cell parameters.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 62| Part 5| September 2006| Pages 912-918
doi:10.1107/S010876810602489X
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