Numerical Computation of GIC 00L Reflections Considering Slight Stage Disorder

MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS（2006）

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摘要

The influence of slight stage disorder on the GIC 00L intensities and the structural parameters obtained from a structure refinement were determined by a computer simulation. Even for supposed pure stages with a stage fidelity more than 98% errors caused by this slight stage disorder have to be taken into account.

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computer simulation

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