Circular dichroism of graphene oxide: the chiral structure model
β Scribed by Cao, Jing; Yin, Hua-Jie; Song, Rui
- Book ID
- 120400307
- Publisher
- Springer-Verlag
- Year
- 2013
- Tongue
- English
- Weight
- 691 KB
- Volume
- 7
- Category
- Article
- ISSN
- 2095-025X
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We discuss the theoretical prediction of vibrational circular dichroism (VCD) spectra using ab initio density functional theory (DFT) and the application of this methodology to the determination of the absolute configurations and conformations of chiral molecules.
The circular dichroism of supercoiled DNA has been calculated as a function of superhelix density using the exciton and free-electron models. The two models agree with each other, and with experiment, at large negative superhelix densities, but disagrees at lower superhelix densities. The reasons ar