Hydrogen bonding effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. I. Adenine-uracil

G. N. Ten,V. V. Nechaev,A. N. Pankratov,V. I. Baranov

Journal of Structural Chemistry（2010）

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摘要

Vibrational spectra of the adenine—uracil complementary pair of nucleic acid bases (NAB) in the isolated state are calculated in the B3LYP/6-311++G( d,p ) approximation and analyzed. The hydrogen bonding effect on frequency positions and intensities of normal vibrations of NAB pairs is shown in comparison with isolated uracil and adenine molecules.

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关键词

adenine,uracil,complementary pair,vibrational spectra,hydrogen bonding,interpretation

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