Article ID Journal Published Year Pages File Type
5389122 Chemical Physics Letters 2007 4 Pages PDF
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 1 ps.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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