Nonadiabatic molecular dynamics on chemi-and bioluminescence of 1,2-dioxetane derivatives

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：hou189

【摘要】

：

　　Chemi-and bioluminescence,especially the ones from 1,2-dioxetane derivatives are widely applied in scientific analyses and commercial products.However,nonad

【作者】

：

Ling Yue Bo-wen Ding Ya-jun Liu Chao-yuan Zhu

【机构】

：

SchoolofScience,Xi'anJiaotongUniversity;CollegeofChemistry,BeijingNormalUniversity;NationalChiaoTun

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年6期

【关键词】

：

Bioluminescence 1 2-dioxetane Surface hopping

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　　Chemi-and bioluminescence,especially the ones from 1,2-dioxetane derivatives are widely applied in scientific analyses and commercial products.However,nonadiabatic molecular dynamics(NAMD)on the processes are challenges due to the biradical mechanism and nearly degenerated potential energy surface.

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Nonadiabatic molecular dynamics on chemi-and bioluminescence of 1,2-dioxetane derivatives

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