ISSN:
0006-3525
Keywords:
Chemistry
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
In this paper we present calculations of dinucleotide optical activity based on the exciton-coupled oscillator and generalized susceptibility theories of CD. Our application of these methods utilizes experimental transition moment data for the nucleic acids and does not require explicit wavefunctions for the monomers. In addition to near-uv π-π* states, the calculations include n-π* and far-uv π-π* transitions recently characterized by Clark. We also show that correlated motions of electrons in the ground state of a system is reflected in the net CD summed over all transitions. Sample calculations for dinucleotides in several conformations illustrate the methods.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/bip.1978.360170405
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