Electronic structure and UV absorption spectra of metal-mediate DNA: an approach from theoretical chemistry.

Abstract

We theoretically evaluated the stability, UV-Vis spectra and possibility of stacking of [S-M(II)-S] (M=Ni, Pd, Pt, S: hydroxypyridonethione) by means of the density functional theory (DFT). From the view of the free energy, we assessed formation energy of possible combinations of chalcogen atoms and metal cations. The results confirmed that [H-Ni(II)-H] and… (More)
DOI: 10.1093/nass/nrp091

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Cite this paper

@article{Matsui2009ElectronicSA, title={Electronic structure and UV absorption spectra of metal-mediate DNA: an approach from theoretical chemistry.}, author={Toru Matsui and Hideaki Miyachi and Yasuyuki Nakanishi and Yasuteru Shigeta and Yasutaka Kitagawa and Mitsutaka Okumura and Kimihiko Hirao}, journal={Nucleic acids symposium series}, year={2009}, volume={53}, pages={181-2} }