Bonded excimer in stacked adenines： Semiclassical simulations

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：CSgrr

【摘要】

：

腺嘌分子，其一个由 ultrafast 激光脉搏激动，的叠的对的 nonradiative 腐烂被半古典作品动力学模拟学习。这模拟调查在 ultrafast 腐烂的机制上在叠的腺嘌集中于结合的 excimer

【作者】

：

DOU YuSheng ZHAO WenHui YUAN S

【机构】

：

InstituteofBioinformatics,DepartmentofPhysicalSciences

【出处】

：

中国科学：化学英文版

【发表日期】

：

2012年7期

【关键词】

：

动力学模拟准分子腺嘌呤 LUMO能级激发态分子超快激光脉冲空间位阻效应辐射衰变 stacked adenines bonded excimer

【基金项目】

：

supported by the National Natural Science Foundation of China (21073242),,the Natural Science Foundation of Chongqing (cstc2011jjA00009),,the Project of Science Technology Foundation of Chongqing Educ

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论文部分内容阅读

腺嘌分子，其一个由 ultrafast 激光脉搏激动，的叠的对的 nonradiative 腐烂被半古典作品动力学模拟学习。这模拟调查在 ultrafast 腐烂的机制上在叠的腺嘌集中于结合的 excimer 的形成的效果。模拟发现结合的 excimer 的形成显著地降低在 LUMO 和人之间的精力差距并且因而便于电子地激动的分子的释放。在另一方面，在二叠的腺嘌之间的化学契约的形成由于位的效果限制激动的分子的嘧啶的变丑颤动。这减慢在人之间联合的形成， LUMO 精力铺平因此推迟到电子地面状态激动的腺嘌分子

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Bonded excimer in stacked adenines： Semiclassical simulations

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