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Computational Modeling of Photoexcitation in DNA Single and Double Strands 期刊论文
PHOTOINDUCED PHENOMENA IN NUCLEIC ACIDS II: DNA FRAGMENTS AND PHENOMENOLOGICAL ASPECTS, 2015, 卷号: 356, 期号: 1, 页码: 89-122
作者:  Lu, You;  Lan, Zhenggang;  Thiel, Walter;  Barbatti, M;  Borin, AC;  Ullrich, S
Adobe PDF(519Kb)  |  收藏  |  浏览/下载：513/262  |  提交时间：2015/11/02
Base Pairing  Base Stacking  Charge Transfer  Delocalized State  Dna Strand  Exciton  Hydrogen Bond  Nonadiabatic Dynamics  Photoexcitation  Qm/mm  
Zirconia-supported niobia catalyzed formation of propanol from 1,2-propanediol via dehydration and consecutive hydrogen transfer 期刊论文
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY, 2014, 卷号: 20, 期号: 5, 页码: 2641-2645
作者:  Peng, Gongming;  Wang, Xicheng;  Chen, Xiufang;  Jiang, Yijun;  Mu, Xindong
Adobe PDF(606Kb)  |  收藏  |  浏览/下载：497/233  |  提交时间：2015/11/02
Zirconia-supported Niobia  Hydrogen Transfer  1  2-propanediol  
Theoretical Study on Proton Transfer of 2-[(4-Chlorophenylimino)methyl]-8-hydroxyquinoline 期刊论文
ACTA CHIMICA SINICA, 2011, 卷号: 69, 期号: 15, 页码: 1743-1750
作者:  Yang Guohui;  Li Yanxin;  Yan Shihai;  Dai Li;  Zhao Bin
收藏  |  浏览/下载：189/0  |  提交时间：2015/11/02
2-[(4-chlorophenylimino)Methyl]-8-hydroxyquinoline  Proton Transfer  Transition State  Hydrogen Bond  Activation Energy  
Theoretical investigation on proton transfer mechanism of hydrated melamine 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 卷号: 964, 期号: 1-3, 页码: 218-233
作者:  Bai, Linlin;  Yan, Shihai;  Ma, Huiqing;  Bi, Siwei
浏览  |  Adobe PDF(447Kb)  |  收藏  |  浏览/下载：238/108  |  提交时间：2012/11/12
Melamine  Proton Transfer  Water-chain  Hydrogen Bond  Catalysis Effect