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note
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e. Furthermore, the CVFF-optimized geometries are significantly different from the MP2 optimized geometries. In particular, the minimum energy structure for rings/5-6 is 2d instead of 2b. This indicates that the molecular force fields for polyimides are quite off the realistic values.
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40
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5544306180
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note
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ij are the distances between atoms i and atoms j.
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