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Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1023, 页码: 10-18
Authors:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong;  Liu JY(刘建勇)
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Nonadiabatic Dynamics  Photo-isomerization  Zhu-nakamura Theory  Bridged-azobenzene  Time-dependent Density Functional Tight-binding Method  
Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin 期刊论文
BIOCHEMISTRY, 2013, 卷号: 52, 期号: 37, 页码: 6467-6479
Authors:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo;  Han KL(韩克利);  CHANG-GUO ZHAN
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First-Principles Investigation of Anisotropic Electron and Hole Mobility in Heterocyclic Oligomer Crystals 期刊论文
CHEMPHYSCHEM, 2013, 卷号: 14, 期号: 11, 页码: 2579-2588
Authors:  Huang, Jin-Dou;  Wen, Shu-Hao;  Huang JD(黄金斗);  Wen SH(温书豪)
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Anisotropy  Charge Transfer  First-principles Calculations  Heterocycles  Oligomers  
White Light Assisted Photosensitized Synthesis of Ag Nanoparticles: Excited-State Hydrogen Bonding Roles 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 22, 页码: 11858-11865
Authors:  Yang, Yang;  Liu, Lei;  Yin, Hongming;  Xu, Dali;  Liu, Guangye;  Song, Xiancheng;  Liu, Jianyong;  Yin HM(尹鸿鸣);  Liu JY(刘建勇)
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Reversible Near-Infrared Fluorescent Probe Introducing Tellurium to Mimetic Glutathione Peroxidase for Monitoring the Redox Cycles between Peroxynitrite and Glutathione in Vivo 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 卷号: 135, 期号: 20, 页码: 7674-7680
Authors:  Yu, Fabiao;  Li, Peng;  Wang, Bingshuai;  Han, Keli;  Han KL(韩克利)
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FTO-mediated formation of N-6-hydroxymethyladenosine and N-6-formyladenosine in mammalian RNA 期刊论文
NATURE COMMUNICATIONS, 2013, 卷号: 4, 页码: 1798
Authors:  Fu, Ye;  Jia, Guifang;  Pang, Xueqin;  Wang, Richard N.;  Wang, Xiao;  Li, Charles J.;  Smemo, Scott;  Dai, Qing;  Bailey, Kathleen A.;  Nobrega, Marcelo A.;  Han, Ke-Li;  Cui, Qiang;  He, Chuan;  Ye Fu
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Time and intensity dependence of total ionization of helium studied 期刊论文
Computational and Theoretical Chemistry, 2013, 卷号: 1004, 页码: 18
Authors:  Li WL(李文亮);  Xu WW(徐文武);  Chu TS(楚天舒)
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Accurate Study on the Quantum Dynamics of the He + HeH+ (X1Σ+) Reaction on A New ab Initio Potential Energy Surface for the Lowest 11A′ Electronic Singlet State 期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 页码: 1406
Authors:  许文武;  张佩宇
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AdiabaticNonadiabatic State-to-State Reactive Scattering Dynamics Implemented on Graphics Processing Units 期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 页码: 8512
Authors:  Zhang PY(张佩宇);  Han KL(韩克利)
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A quantum time-dependent wave-packet study of intersystem crossing effects in the O(3P0,1,2) + D2(v = 0, j = 0) reaction 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 期号: 13, 页码: 134309
Authors:  Zhao J(赵娟)
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