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Effect of Chain Conformations on the Frequency Distribution of an Idealized Chain
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8.It is interesting to note that if we had used fixed, rather than cyclic, boundary conditions, we would have obtained two extra out‐of‐band modes. Both of these modes appear well separated from and below the continuum and they appear even for the extended conformation. Fixed boundary conditions correspond to an infinite mass defect; and it is well known3 that this defect does not produce out‐of‐band modes above the continuum. However due to the zigzag geometry, we have two modes below the continuum. If we use free boundary conditions, we get no extra out‐of‐band modes.
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