Phonon dispersion and heat capacity in cross-β form of poly(O-acetyl, l-serine)

Phonon Dispersion and Heat Capacity in Microbial Poly(ε-L-lysine)(M-ε-PL)

“…It is calculated at 1528 cm À1 and assigned to the peak observed at 1540/1523 cm À1 (IR/Raman). 14 This agrees well with the amide II modes in other sheet structures such as -PLV, -PALS, -PG I and -PLS [20][21][22][23] [ Table IV]. Amide III is a combination of N-H in plane bend and C-N stretch as in amide II but in opposite phase.…”

Conformational symmetry and vibrational dynamics of polymers

“…Applying group theory, the number of normal modes in a particular symmetry species (γ) is given as (10) Here, H is the order of the point group, g j is the number of symmetry operations in the j th class, X j (γ) is the character of the γ species in the j th class, and X j is the character of the j th symmetry transformation of the displacement coordinates.…”

“…In the present communication, we have tried to show how the dispersion profile of low-frequency modes reflects the symmetry of the polymer chain. This has been done in a variety of symmetry groups [4][5][6][7][8][9][10][11][12][13][14][15][16]. Strong supporting evidence of the spectral parameters (constants of IR and Raman) is obtained from quantum chemical [Hartree-Fock (HF), post-HF, and density functional theory (DFT)] [17][18][19][20] and molecular dynamical (MD) approaches.…”

Vibrational dynamics of trans-1,4-polyisoprene (β-form)

“…In our earlier publications [1][2][3][4] in this journal we have reported several studies on the vibrational dynamics of a variety of polymeric systems including synthetic polymers. In continuation to this work, we report here phonon dispersion in an important industrial polymer namely, trans-1,4-polyisoprene (TPI).…”