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[期刊论文] 作者：Yuxiang BU,
来源：中国高等学校学术文摘·化学 年份：2010
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Excess Electron Solvation and Its Applications to Charge Transfers in the Microsurrounding Media: Ab
[会议论文] 作者：Yuxiang Bu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
In this talk,we reveal some ab initio molecular dynamics simulations results about the evolution dynamics of solvated dielectrons in condensed state media,e...
Excess Electron Solvation and Its Applications to Charge Transfers in the Microsurrounding Media: Ab
[会议论文] 作者：Yuxiang Bu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Mei Wang,Yuxiang Bu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Li Han,Yuxiang Bu,
来源：第十一届全国量子化学会议 年份：2011
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Interaction of weakly bound electrons with radiosensitive drug in solution revealed by time-dependen
[会议论文] 作者：Changzhe Zhang,Yuxiang Bu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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[会议论文] 作者：Qi Luo,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
Ab initio molecular dynamics simulations reveal the structures,states and dynamics of the excess dielectron(e2 2–)in liquid methylamine in singlet-and trip...
[会议论文] 作者：Liang Gao,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
In this work,we present an ab initio molecular dynamics simulation study on the interaction of an excess electron(EE)with histidine in its neutral or slight...
Localization Dynamics of Excess Electrons in Proline Solutions Revealed by Ab Initio Molecular Dynam
[会议论文] 作者：Xiufang Song,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
We used ab initio molecular dynamics simulations combined with quantum chemical calculations to explore the electron solvation in aqueous proline solutions...
[会议论文] 作者：Jie Zhang,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
The solvation of excess electrons(EE)in bulk liquid medium shows unusual properties and has been widely studied.Investigations involving the solvation dynam...
Localization Dynamics of Excess Electrons in Proline Solutions Revealed by Ab Initio Molecular Dynam
[会议论文] 作者：Xiufang Song,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
We used ab initio molecular dynamics simulations combined with quantum chemical calculations to explore the electron solvation in aqueous proline solutions with an injected excess electron....
Interaction of weakly bound electrons with radiosensitive drug in solution revealed by time-dependen
[会议论文] 作者：Changzhe Zhang,Yuxiang Bu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
In this work,interaction and reactivity of weakly-bound excess electron with radiosensitive agent in solution is explored using a combined ab initio molecular dynamics simulation and time-dependent wa...
Molecular Dynamics Insights into Electron-Catalyzed Dissociation Repair of Cyclobutane Pyrimidine Di
[期刊论文] 作者：Liang Gao,Yuxiang Bu,
来源：化学物理学报（英文版） 年份：2021
Excess electrons are not only an important source of radiation damage,but also participate in the repair process of radi-ation damage such as cyclobutane pyrimidine dimer (CPD).Using ab initio molecular dynam-ics (AIMD) simulations,we repro......
[会议论文] 作者：Jing Zhao,Xiaohua Chen,Yuxiang Bu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Jinxiang Liu,Robert I.Cukier,Yuxiang Bu,
来源：第七届国际分子模拟与信息技术应用学术会议 年份：2014
We report an ab initio molecular dynamics simulation study of the solvation and dynamics of an excess electron in liquid acetonitrile (ACN).Four families of...
[会议论文] 作者：Meiyu Song,Xinyu Song,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
Multi-Beryllium-expanded small graphene-like molecules including oligoacenes(mBe-nA)and graphene patches(mBe-GP)are computationally designed through introdu...
[会议论文] 作者：Fengying Zhang,Xinyu Song,Yuxiang Bu,
来源：第十三届全国量子化学会议 年份：2017
We design two couples of nitroxy-pyrazinyl-nitroxy diradicals in which two nitroxy radical groups are connected to a redox-active pyrazinyl coupler in the p...
[会议论文] 作者：Xiuxiu Wu,Robert I.Cukier,Yuxiang Bu,
来源：第十二届全国量子化学会议 年份：2014
Studies on the structure,states,and reactivity of excess electrons(EEs)in biological media are of great significance.Although there is information about EE interactions with dry biological molecules,s...
Research of Modified Carbon Nanomaterials and Their Doped Derivatives with Enhanced Properties for T
[会议论文] 作者：Hongfang Yang,Wenming Sun,Genqin Li,Yuxiang Bu,
来源：第十一届全国量子化学会议 年份：2011
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