Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5418065 | Journal of Molecular Structure: THEOCHEM | 2008 | 5 Pages |
Abstract
We have investigated the role of H-bonding on the static first-order hyperpolarizabilities of DNA base pairs, namely, adenine-thymine (AT) and guanine-cytosine (GC). To interpret the effect of long-range dipolar interaction on this optical coefficient, the configuration interaction method has been implemented in these systems. Remarkably, the static first-order hyperpolarizability values gradually increases for the AT base pair as one increases the H-bonding distance between the DNA bases, whereas a reverse trend is observed for the GC base pair where the hyperpolarizability values pass through a minimum.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Prasenjit Seal, Prakash Chandra Jha, Swapan Chakrabarti,