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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  
Cation effect in the ionic solution optical Kerr effect measurements: A simulation study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 5, 页码: 054507
Authors:  Zhang, Ruiting;  Zhuang, Wei;  Zhuang W(庄巍)
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Photoelectron Imaging and Theoretical Study on Nascent Hydrogen Bond Network in Microsolvated Clusters of Au−(CH3OH)n (n = 1−5)  期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 19, 页码: 3402
Authors:  秦正波;  从然;  谢华;  刘志凌;  吴侠;  唐紫超;  江凌;  樊红军
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Experimental and Theoretical Study on the Pyrolysis Mechanism 期刊论文
Energy & Fuels, 2014, 卷号: 28, 期号: 2, 页码: 980
Authors:  Li G(李刚);  Li L(李璐);  Shi L(史磊);  Jin LJ(靳立军);  Tang ZC(唐紫超);  Fan HJ(樊红军);  Hu HQ(胡浩权)
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Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文
SCIENCE CHINA-CHEMISTRY, 2014, 卷号: 57, 期号: 1, 页码: 147-155
Authors:  Liu TianHui;  Fu BiNa;  Zhang Dong H;  Zhang DH(张东辉)
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Potential Energy Surface  Dft Calculations  Neural Networks  Wave Packet  Six-dimensional  
Vacuum Ultraviolet Photodissociation Dynamics of Isocyanic Acid: The Hydrogen Elimination Channel 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 50, 页码: 13564-13571
Authors:  Yu, Shengrui;  Su, Shu;  Dai, Dongxu;  Yuan, Kaijun;  Yang, Xueming;  Yuan KJ(袁开军);  Yang XM(杨学明)
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Effect of Ion Pairing on the Solution Dynamics Investigated by the Simulations of the Optical Kerr Effect and the Dielectric Relaxation Spectra 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 49, 页码: 15395-15406
Authors:  Zhang, Ruiting;  Zhuang, Wei;  Zhuang W(庄巍)
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Competition between Direct and Indirect Dissociation Pathways in Ultraviolet Photodissociation of HNCO 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 46, 页码: 11673-11678
Authors:  Yu, Shengrui;  Su, Shu;  Dorenkamp, Yvonne;  Wodtke, Alec M.;  Dai, Dongxu;  Yuan, Kaijun;  Yang, Xueming;  Yang XM(杨学明);  Yuan KJ(袁开军)
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Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 139, 期号: 18, 页码: 184705
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.;  Zhang DH(张东辉)
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DFT Study on the NMR Chemical Shifts of Molecules Confined in Carbon Nanotubes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 44, 页码: 23418-23424
Authors:  Ren, Pengju;  Zheng, Anmin;  Pan, Xiulian;  Han, Xiuwen;  Bao, Xinhe;  Bao XH(包信和)
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