Slow Deactivation Channels in UV-Photoexcited Adenine DNA

来源 :第十届全国物理有机化学学术会议 | 被引量 : 0次 | 上传用户：hujie789

【摘要】

：

The molecular mechanism for removing the excess energy in the bases is responsible for the high photostability of DNA and is thus the subject of intensive theor

【作者】

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Wei-Hai Fang

【机构】

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CollegeofChemistry,BeijingNormalUniversity,Xin-Jie-KouWai-Da-Jie19Beijing,100875

【出处】

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第十届全国物理有机化学学术会议

【发表日期】

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2013年9期

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The molecular mechanism for removing the excess energy in the bases is responsible for the high photostability of DNA and is thus the subject of intensive theoretical/computational investigation.To understand why the excited state decay of the stacked bases is significantly longer than that of the monomer, we carried out electronic structure calculations on an adenine monomer and an aqueous (dA)5 oligonucleotide employing the CASPT2//CASSCF and CASPT2//CASSCF/Amber levels of theory.

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Slow Deactivation Channels in UV-Photoexcited Adenine DNA

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