Structural Characterization of Poly-L-lactic Acid (PLLA) and Poly(glycolic acid)(PGA) Oligomers

Structural Characterization of Poly-L-lactic Acid (PLLA) and Poly(glycolic acid)(PGA) Oligomers

Structural characterization of poly-L-lactic acid (PLLA) and poly(glycolic acid) (PGA) oligomers containing three units was carried out with an atomistic approach. Oligomer structures were first optimized through quantum chemical calculations, using density functional theory (DFT); rotational barrie...

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Bibliographic Details
Main Authors: Giuseppe Perale, Tommaso Casalini, Filippo Rossi, Marco Santoro
Format: Article
Language:English
Published: MDPI AG 2011-06-01
Series:International Journal of Molecular Sciences
Subjects:
DFT
torsion potential
force field
molecular dynamics
diffusion
Online Access:http://www.mdpi.com/1422-0067/12/6/3857/

Internet

http://www.mdpi.com/1422-0067/12/6/3857/

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