RNA Structural Forms Studied by Vibrational Circular Dichroism: Ab Initio Interpretation of the Spectra
✍ Scribed by Andrushchenko, Valery; Wieser, Hal; Bouř, Petr
- Book ID
- 118252273
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 808 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0022-3654
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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.
## Abstract Variations in the structure of d(GGGA)~5~ oligonucleotide in the presence of Li^+^, Na^+^, and K^+^ ions and its temperature stability were studied using electronic and vibrational circular dichroism, IR absorption, and ab initio calculations with the Becke 3‐Lee‐Yang‐Parr functional at