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Phonons and their dispersion in poly(S-benzyl-L-cysteine)
Authors:Deepti Kapoor  Navnit K Misra  Poonam Tandon  V D Gupta
Abstract:Poly(S-benzyl-L -cysteine) (PBLC) is a S-benzyl derivative of the natural amino acid poly(L -cysteine). Its normal modes and their dispersion in antiparallel β-sheet conformation have been obtained within the first Brillouin zone using Wilson's G.F. matrix method, as modified by Higgs for an infinite polymeric chain. The zone center frequencies and the Urey Bradley force field have been obtained by “best fitting” the observed Fourier transform IR (FTIR) absorption bands. The characteristic features of dispersion curves such as crossing, repulsion, and exchange of character are discussed. Predictive values of heat capacity in the temperature range of 50–500 K are reported. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 3269–3287, 1999
Keywords:dispersion  poly(S-benzyl-L-cysteine)  conformation  antiparallel β  sheet  crossover  repulsion  density of states
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