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Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1031, 期号: 1, 页码: 13-21
Authors:  Gao, Ai-Hua;  Li, Bin;  Zhang, Pei-Yu;  Liu, Jianyong;  Liu JY(刘建勇)
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Azobenzene  Bridged Azobenzene  Surface Hopping Method  Dynamics Simulations  Zhu-nakamura Theory  
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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Experimental observations of s-p coupling in copper dimer anions 期刊论文
PHYSICAL REVIEW A, 2013, 卷号: 88, 期号: 3, 页码: 033413
Authors:  Liu, Benkang;  Wang, Yanqiu;  Wang, Li;  Wang L(王利)
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Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline (NH3)3 cluster 期刊论文
Spectrochimica Acta A, 2013, 卷号: 112, 页码: 257
Authors:  Liu YH(刘宇辉);  Lan SC(兰生成);  Chun-Ran Li
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A near-infrared reversible and ratiometric fluorescent probe based on Se-BODIPY for the redox cycle mediated by hypobromous acid and hydrogen sulfide in living cells 期刊论文
CHEMICAL COMMUNICATIONS, 2013, 卷号: 49, 期号: 51, 页码: 5790-5792
Authors:  Wang, Bingshuai;  Li, Peng;  Yu, Fabiao;  Chen, Junsheng;  Qu, Zongjin;  Han, Keli;  Han KL(韩克利)
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Detailed Temperature-dependent Study of n-Heptane Pyrolysis at High 期刊论文
Chinese Journal of Chemical Physics(中国期刊), 2013, 卷号: 26, 期号: 3, 页码: 329
Authors:  Ding JX(丁俊霞);  He GZ(何国钟);  Zhang L(张亮)
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A Reactive Molecular Dynamics Study of n‑Heptane9;Heptane Pyrolysis at High 期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 期号: 16, 页码: 3266
Authors:  丁俊霞;  张亮;  张岩;  韩克利
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Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 卷号: 116, 期号: 26, 页码: 13858-13864
Authors:  Zhang, Xiao-Yu;  Zhao, Guang-Jiu;  Zhao GJ(赵广久)
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Theoretical Study on Photoisomerization Effect with a Reversible Nonlinear Optical Switch for Dithiazolylarylene 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 卷号: 116, 期号: 22, 页码: 5392-5397
Authors:  Song, Ping;  Gao, Ai-Hua;  Zhou, Pan-Wang;  Chu, Tian-Shu;  Chu TS(楚天舒)
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Recent density functional theory model calculations of drug metabolism by cytochrome P450 期刊论文
COORDINATION CHEMISTRY REVIEWS, 2012, 卷号: 256, 期号: 11-12, 页码: 1137-1150
Authors:  Li, Dongmei;  Wang, Yong;  Han, Keli;  Han KL(韩克利)
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Density Functional Theory  Compound i  Hydrogen Atom Transfer  Two-state Reactivity