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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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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...
Crucial Role of Solvent-Impacted Molecular Anionic Resonances in Controlling Protonation Modes in th
[会议论文] 作者：Shoushan Wang,Jinxiang Liu,Changzhe Zhang,Li Guo,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 present an ab initio molecular dynamics simulation study of a CH3CN-(H2O)40 cluster with an excess electron (EE) injected vertically in this work.Instead...
[期刊论文] 作者：Yuzhi Song,Songsong Liu,Jiajun Lu,Hui Zhang,Changzhe Zhang,Jun Du,
来源：中国物理B（英文版） 年份：2019
The excited state intramolecular proton transfer of four derivatives (FM,BFM,BFBC,CCM) of 3-hydroxychromone is investigated.The geometries of different substitu...
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