Molecular dynamics simulation of semirig
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Fusco, Roberto ;Longo, Luca ;Caccianotti, Luciano ;Aratari, Carola ;Allegra, Giu
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Article
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1993
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Wiley (John Wiley & Sons)
β 441 KB
## Abstract The chain rigidity of poly(__p__βhydroxybenzoate) was estimated through the theoretical evaluation of its persistence length (__L__~p~). A nonβBrownian molecular dynamics (MD) simulation of an isolated chain with 20 monomeric units was performed. The sampled conformational population wa