Year 2007

40. Photodissociation dynamics of benzoic acid monomer at 266nm: The OH product channel
Qiang Wei, Ju-Long Sun, Xian-Fang Yue, Hong-Ming Yin, Ke-Li Han. 
CHEMICAL PHYSICS LETTERS, 2007, 448, 11.
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39. Capillary array electrophoresis for the research of racemization reaction of l-amino acids
Jun Wang, Yang-Yang Zhang, Li Wang, Ji-Ling Bai. 
Journal of Chromatography A, 2007, 1144, 279.

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38. Theoretical studies on the reactions of formaldehyde with OH and OH-
Yu-Chao Zhao, Bing-Xing Wang, Hai-Yang Li, Li Wang. 
Journal of Molecular Structure: Theochem, 2007, 818, 155.

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37. Simplified model for analysing ion/photoelectron images
Jing-Yi Zhu, Bing-Xing Wang, Wei Guo, Yan-Qiu Wang, Li Wang. 
CHINESE PHYSICS LETTERS, 2007, 24, 1922.

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36. Theoretical studies on the reaction mechanism of 1-chloroethane with hydroxyl radical
Bing-Xing Wang, Li Wang.   
Chinese Journal of Structural Chemistry, 2007, 26, 695.

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35. 532nm激光诱导毛细管阵列电泳仪的研制
Kai-Ying Liu, Jun Wang, Hui Wang, Ji-Ling Bai, Li Wang. 
分析化学, 2007, 35, 772.

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34. Alignment effects of NO in femtosecond laser field
Wei Guo, Jing-Yi Zhu, Yan-Qiu Wang, Li Wang. 
CHEMICAL PHYSICS LETTERS, 2007, 448, 173.

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33. Quantum and molecular dynamics study for binding of macrocyclic inhibitors to human α-thrombin
Ling Wu, Ye Mei, Ke-Li Han, Zen-Hui Zhang. 
BIOPHYSICAL JOURNAL, 2007, 92, 4244.

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32. Probing the Ultrafast Photoelectron Spectra of Br2 Molecule
Jie Hu, Feng Liu, Qing-Tian Meng, Ke-Li Han. 
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2007, 107, 1994.

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31. Structural distortion of B1-structured MnO and FeO
Wei-Bing Zhang, Yong-He Deng, Yu-Lin Hu, Ke-Li Han, Bi-Yu Tang 
SOLID STATE COMMUNICATIONS, 2007, 142, 6.

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30. Quantum dynamics study of H+NH3→H2+NH2 reaction
Xu-Qiang Zhang, Qian Cui, Zen-Hui Zhang, Ke-Li Han. 
JOURNAL OF CHEMICAL PHYSICS, 2007, 126, 234304-1.

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29. Insertion of O-H bond of Rh(II)-methylene carbene into alcohols: a stepwise mechanism more plausible than a concerted mechanism
Zhen-Feng Liu, Yong Wang, Xian-Fang Yue, Ke-Li Han. 
CHEMICAL RESEARCH IN CHINESE UNIVERSITY, 2007, 23, 221.

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28. Ultrafast excited-state dynamics of tetraphenylethylene studied by semiclassical simulation
Guang-Jiu Zhao, Ke-Li Han, Yi-Bo Lei, Yu-Sheng Du. 
JOURNAL OF CHEMICAL PHYSICS, 2007, 127, 094307-1.

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27. Significant Nonadiabatic Effects in the S(1D) + HD Reaction
Tian-Shu Chu, Ke-Li Han, George C. Schatz. 
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111, 8286.

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26. DFT investigations about pyrazine molecules on Si(100)-2x1 surface
Ang-Yang Yu, Yong-Quan Qu, Ke-Li Han, Guo-Zhong He. 
CHEMICAL RESEARCH IN CHINESE UNIVERSITY, 2007, 23, 444.

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25. Microcalorimetric study on the bacteriostatic activity of isoquinoline alkaloids
Xiao-Jing Liu, Hong-Lin Zhang, Zhi-Cheng Tan, Ke-Li Han, Li-Xian Sun. 
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2007, 89, 907.

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24. Theoretical study of the stereodynamics of the reactions of D-+H2 →H-+HD and H-+D2→D-+HD
Wen-Liang Li, Mei-Shan Wang, Chuan-Lu Yang, et al.
CHEMICAL PHYSICS, 2007, 337,93.

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23. A time-dependent wave packet quantum scattering study of the reaction HD+(v=0-3, j0=1)+He→HeH+(HeD+)+D(H)
Xiao-Nan Tang, Cassidy Houchins, Kai-Chung Lau, C. Y. Ng, Rainer A. Dressler, Yu-Hui Chiu, Tian-Shu Chu, Ke-Li Han. 
JOURNAL OF CHEMICAL PHYSICS, 2007, 127, 164318-1.

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22. Experimental and theoretical study on the structure and formation mechanism of [C6H5Cum]-(m=1-3)
Xiao-Jing Liu, Xiang Zhang, Ke-Li Han, Xiao-Peng Xing, Shu-Tao Sun, Zi-Chao Tang. 
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111, 3248.

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21. Systematic study on the mechanism of aldehyde oxidation to carboxylic acid by cytochrome P450
Xiao-Jing Liu, Yong Wang, Ke-Li Han. 
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2007, 12, 1073.

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20. Ultrafast Hydrogen bond strengthening of the photoexcited fluorenone in alcohols for facilitating the fluorescence quenching
Guang-Jiu Zhao, Ke-Li Han. 
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111, 9218.

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19. Photoabsorption of green and red fluorescent protein chromophore anions in vacuo
Song-Bo Wan, Sha-Sha Liu, Guang-Jiu Zhao, Mao-Du Chen, Ke-Li Han, Meng-Tao Sun. 
BIOPHYSICAL CHEMISTRY, 2007, 129, 218.

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18. Photodissociation dynamics of nitromethane and nitroethane at 266 nm
Xian-Fang Yue, Ju-Long Sun, Qiang Wei, Hong-Ming Yin, Ke-Li Han.
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2007, 20, 401.

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17. Novel infrared spectra for intermolecular dihydrogen bonding of the phenol-borane-trimethylamine complex in electronically excited state
Guang-Jiu Zhao, Ke-Li Han.
JOURNAL OF CHEMICAL PHYSICS, 2007, 127, 024306-1.

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16. Site-selective photoinduced electron transfer from alcoholic solvents to the chromophore facilitated by hydrogen bonding: a new fluorescence quenching mechanism
Guang-Jiu Zhao, Jian-Yong Liu, Li-Chuan Zhou, Ke-Li Han.
JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111, 8940.

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15. Direct dynamics simulation of reaction between F2 and ethylene
Yan Qi, Ke-Li Han, A. J. C. Varandas.
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2007, 20, 109.

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14. Photochemistry of aryl halides: Photodissociation dynamics
Ke-Li Han, Guo-Zhong He.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS, 2007, 8, 55.

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13. Time-resolved photoelectron spectra of Br2 molecule in intense laser field
Jie Hu, Qing-Tian Meng, Ke-Li Han.
CHEMICAL PHYSICS LETTERS, 2007, 442, 17.

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12. Theoretical study of N-demethylation of substituted N,N-dimethylanilines by Cytochrome P450: the mechanistic significance of kinetic isotope effect profiles
Yong Wang, Devesh Kumar, Chuan-Lu Yang, Ke-Li Han, Sason Shaik.
JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111, 7700.

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11. Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D2 reaction
Tian-Shu Chu, Ke-Li Han, Marlies Hankel, Gabriel G. Balint-Kurtid.
JOURNAL OF CHEMICAL PHYSICS, 2007, 126, 214303-1.

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10. The ultrafast dynamics of near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents
Li-Chuan Zhou, Jian-Yong Liu, Guang-Jiu Zhao, Ying Shi, Xiao-Jun Peng, Ke-Li Han.
CHEMICAL PHYSICS, 2007, 333, 179.

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9. 噁嗪750激光染料分子在醇类溶剂中超快动力学研究
Li-Chuan Zhou, Jian-Yong Liu, Ying Shi, Guang-Jiu Zhao, Ke-Li Han.
原子与分子物理学报, 2007, 24, 431.

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8. Early time hydrogen-bonding dynamics of photoexcited Coumarin 102 in hydrogen-donating solvents: theoretical study
Guang-Jiu Zhao, Ke-Li Han.
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111, 2469.

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7. Rh(II) carbene S-H insertion into H2S via the stepwise mechanism
Zhen-Feng Liu, Xian-Fang Yue, Qiang Wei, Ke-Li Han.
CHINESE CHEMICAL LETTERS, 2007, 18, 107.

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6. The charge transfer mechanism and spectral properties of a near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents
Li-Chuan Zhou, Guang-Jiu Zhao, Ji-Feng Liu, Ke-Li Han, Yun-Kou Wu, Xiao-Jun Peng, Meng-Tao Sun.
JOURNAL OF PHOTOCHEMISTRY & PHOTOBIOLOGY A: CHEMISTRY, 2007, 187, 305.

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5. Spin-orbit effect in the energy pooling reaction O2(a1Δ)+ O2(a1Δ)→O2(b1Σ)+ O2(X3Σ)
Rui-Feng Lu, Pei-Yu Zhang, Tian-Shu Chu, Ting-Xian Xie, Ke-Li Han.
JOURNAL OF CHEMICAL PHYSICS, 2007, 126, 124304-1.

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4. Quantum wave packet studies on F+HBr reaction
Wei-Long Quan, Ping-Ying Tang, Bi-Yu Tang, Ke-Li Han
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2007, 23, 96.

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3. Variational transition-state theory study of the atmospheric reaction OH+O3→HO2+O2
Li-Ping Ju, Ke-Li Han, António J. C. Varandas.
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2007, 39, 148.

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2. A theoretical investigation of the excited states of OClO radical, cation, and anion using the CASSCF/CASPT2 method
Zi-Zhang Wei, Bu-tong Li, Hong-Xing Zhang, Chia-chung Sun, Ke-Li Han.
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2007, 28, 467.

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1. A new mechanism for ethanol oxidation mediated by cytochrome P450 2E1: bulk polarity of the active site makes a difference
Yong Wang, Chuan-Lu Yang, Hong-Ming Wang, Ke-Li Han, Sason Shaik.
CHEMBIOCHEM, 2007, 8, 277.

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