Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5389122 | Chemical Physics Letters | 2007 | 4 Pages |
Abstract
The electronic coupling of guanines G in (GT)6GTG(TG)6 is computed using a combined QC/MD scheme. The two-state scheme considerably underestimates the probability of HT in DMA. The probability distributions computed with the two- and four-state schemes are quite different. Big fluctuations, which are at least an order of magnitude larger than the average value of V2, occur roughly every 1Â ps.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Alexander A. Voityuk,