Year 2011

1 Excited-State Proton Transfer via Hydrogen-Bonded Acetic Acid (AcOH) Wire for 6-Hydroxyquinoline
Yu-Hui Liu, Mohan Singh Mehata, Jian-Yong Liu
Journal of Physical Chemistry A, 2011, 115, 1, 19 - 24

2 Theoretical study of the photodissociation of Li2+ in one-color intense laser fields
Yuan-Jun Li, Wan-Yi Jiang, Yuriy G. Khait, and Mark R.Hoffmann
Journal of Chemical Physics, 2011, 134, 174108 - 1 - 17


3 Terpyridine-derived Zn2+ selective fluorescence sensor: ratiometric fluoroionophoric behavior study
Peng Song, Shi-Guo Sun, Pan-Wang Zhou, Jian-Yong Liu, Yong-Qian Xu, Xiao-Jun Peng
Chemical Research in Chinese University, 2011, 27, 1, 127 - 131


4 Size effect of water cluster on the excited-state proton transfer in aqueous solvent
Yu-Hui Liu, Tian-Shu Chu
Chemical Physics Letters, 2011, 505, 117 - 121


5 Catalytic mechanism of cytochrome P450 for 5'-Hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity
Dong-Mei Li, Xiao-Qin Huang, Ke-Li Han, Chang-Guo Zhan
Journal of the American Chemical Society, 2011, 133, 7416 - 7427


6 A TD-DFT study on the cyanide-chemosensing mechanism of 8-formyl-7-hydroxycoumarin
Guang-Yue Li, Guang-Jiu Zhao, Ke-Li Han, Guo-Zhong He
Journal of Computational Chemistry, 2011, 32, 4, 668 - 674


7 Nitrosation of malononitrile by HONO, ClNO and N2O3 : A theoretical study
Kun Yang, Xiao-Fang Chen, Jian-Yong Liu, Wei-Peng Lai, Bo-Zhou Wang
Journal of Molecular Modeling, 2011, 17, 1017 - 1027


8 Reaction mechanism and chemoselectivity of intermolecular cycladdition reactions between phenyl-substituted cyclopropenone ketal and methyl vinyl ketone
Yan Qiao, Tian-Shu Chu
Journal of Organic Chemistry, 2011, 76, 3086 - 3095


9 Substituent Effects on the Intramolecular Charge Transfer and Fluorescence of Bimetallic Platinum Complexes
Guang-Jiu Zhao, Fa-Biao Yu, Ming-Xing Zhang, Brian H. Northrop, Hai-Bo Yang, Ke-Li Han, Peter J. Stang
Journal of Physical Chemistry A, 2011, 115, 6390 - 6393


10 Molecular dynamics simulation reveals preorganization of the chloroplast FtsY towards complex formation induced by GTP binding
Ming-Jun Yang, Xue-Qin Pang, Xin Zhang, Ke-Li Han
Journal of Structural Biology, 2011, 173, 57 - 66


11 Molecular dynamics simulations reveal structural coordination of Ffh-FtsY heterodimer
Ming-Jun Yang, Xin Zhang
Proteins, 2011, 79, 1774 - 1785


12 Unusual laser-induced absorptions of Ca+ - formaldehyde :molecular orbital interaction
Bing Jin, Dong-Sheng Wang, Jian-Yong Liu
Journal of Theoretical and Computational Chemistry, 2011, 10, 3, 349 - 358


13 A Density Functional Theory Study of the Synthesis of 5-Chloro-benzofuroxan from 5-Chloro-2-nitroaniline
Chun-Yuan Hou, Xiao-Fang Chen, Jian-Yong Liu, Bo-Zhou Wang
ACTA CHIMICA SINICA, 2011, 69, 9, 1065 - 1069


14 A Near-IR Reversible Fluorescent Probe Modulated by Selenium for Monitoring Peroxynitrite and Imaging in Living Cells
Fa-Biao Yu, Peng Li, Guang-Yue Li, Guang-Jiu Zhao, Tian-Shu Chu, Ke-Li Han
Journal of the American Chemical Society, 2011, 133, 29, 11030 - 11033


15 Theoretical investigation of the origin of the multipeak structure of kinetic-energy-release spectra from charge-resonance-enhanced ionization of H2拢芦 in intense laser fields
Hai-Xiang He, Rui-Feng Lu, Pei-Yu Zhang, Ya-Hui Guo, Ke-Li Han, Guo-Zhong He
Physical Review A, 2011, 84, 3, 033418 - 1 - 4


16 New ab initio potential energy surface and quantum dynamics of the reaction H(2S) + NH(X3Sigma -) -> N(4S) + H2
Hong-Sheng Zhai, Ke-Li Han
Journal of Chemical Physics, 2011, 135, 10, 104314 - 1 - 7


17 Photo-induced Intramolecular Charge Transfer from Antenna to Anchor Groups in Phenoxazine Dyes
Song-Qiu Yang, Jian-Yong Liu, Pan-Wang Zhou, Ke-Li Han, Guo-Zhong He
Chemical Physics Letters, 2011, 512, 1-3, 66 - 69


18 Solvent effects on 3-Keto-1H-pyrido[3,2,1-kl]phenothiazine fluorescence in polar and protic solvents
Song-Qiu Yang, Jian-Yong Liu, Pan-Wang Zhou, Guo-Zhong He
Journal of Physical Chemistry B, 2011, 115, 36, 10692 - 10698


19 Promoting Effect of Electrostatic Interaction between a Cobalt Catalyst and a Xanthene Dye on Visible-Light-Driven Electron Transfer and Hydrogen Production
Jingfeng Dong, Mei Wang, Pan Zhang, Song-Qiu Yang, Jian-Yong Liu, Xueqiang Li, and Licheng Sun
Journal of Physical Chemistry C, 2011, 115, 30, 15089 - 15096


20 Understanding electron-withdrawing substituent effect on structural, electronic and charge transport properties of perylene bisimide derivatives
Shuo Chai, Shu-Hao Wen, Ke-Li Han
Organic Electronics, 2011, 12, 11, 1806 - 1814


21 Density Functional Theory Study on Electron and Hole Transport Properties of Organic Pentacene Derivatives with Electron-Withdrawing Substituent
Shuo Chai, Shu-Hao Wen, Jin-Dou Huang, Ke-Li Han
Journal of Computational Chemistry, 2011, 32, 15, 3218 - 3225


22 High-order harmonics extension and isolated attosecond pulse generation in three-color field: Controlling factors
Li-Qiang Feng, Tian-Shu Chu
Physics Letters A, 2011, 375, 41, 3641 - 3648


23 Highly Efficient Orange and White Organic Light-Emitting Diodes Based on New Orange Iridium Complexes
Li-Qiang Feng, Tian-Shu Chu
Advanced Materials, 2011, 23, 25, 2823 - 2827


24 Degradation of dyes using hollow copper microspheres as catalyst
Lixin Xia, Hongping Zhao, Guang-Ye Liu, Xinhu Hu, Yuan Liu, Jushi Li, Donghui Yang, and Xiaofang Wang
Colloids and Surfaces A, 2011, 384, 1-3, 358 - 362


25 A single isolated sub-50 attosecond pulse generation with a two-color laser field by a frequency-chirping technique
Kun Zhao, Tian-Shu Chu
Chemical Physics Letters, 2011, 511, 1-3, 166 - 171


26 Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solution: A time-resolved fluorescence and theoretical study
Yu-Hui Liu, Peng Li
Journal of Luminescence, 2011, 131, 10, 2116 - 2120


27 The Coriolis Effect in the N + ND -> N2 + D Reaction
Ai-Jie Zhang, Guo-Zhong He
Computational and Theoretical Chemistry, 2011, 977, 1 - 3, 40 - 43


28 The Quantum mechanics Rate Constants for the N+ND reaction
Ai-Jie Zhang, Guo-Zhong He
Chinese Journal of Chemical Physics, 2011, 24, 5, 547 - 550


29 Attosecond pulse generation by applying a weak static electric field to a few-cycle pulse
Guang-Jiu Zhao, Xiao-lv Guo, Tian-Jiao Shao, Xue Kang
New Journal of Physics, 2011, 13, 9, 093035 - 1 - 12


30 Quantum wavepacket exploration of isolated high-order harmonic attosecond pulse generation: from two-color scheme to three-color scheme
Cui-Xia Yao, Tian-Jiao Shao, Guang-Jiu Zhao
Journal of Modern Optics, 2011, 58, 11, 954 - 961


31 Control continuum bandwidth and attosecond pulse generation by infrared laser parametric source
Chang-Li Cheng, Guang-Jiu Zhao, Tian-Jiao Shao, Hai-Bo Zhu
European Physical Journal D, 2011, 64, 1, 171 - 180


32 TDDFT Study on Different Sensing Mechanisms of Similar Cyanide Sensors Based on Michael Addition Reaction
Guang-Yue Li, Ping Song, Guo-Zhong He
Chinese Journal of Chemical Physics, 2011, 24, 3, 305 - 310


33 Theoretical Study of Ca-H Hydroxylation of 4-Chloro-N-cyclopropyl-N-isopropylaniline Catalyzed by Cytochrome P450
Dong-Mei Li, Jian-Yong Liu
Chinese Journal of Catalysis, 2011, 32, 7, 1208 - 1213


34 Thermal rate constants of the pyrolysis of n-Heptane
Jun-Xia Ding, Liang Zhang, Ke-Li Han
Combustion and Flame, 2011, 158, 12, 2314 - 2324


35 Nuclear interference in dissociating of HD+ in ultrashort laser fields
Di Yang, Shu-Lin Cong
Physical Review A, 2011, 84, 1, 013424 - 1 - 7


36 Generation of an isolated sub-40-as pulse using two-color laser pulses: Combined chirp effects
Li-Qiang Feng, Tian-Shu Chu
Physical Review A, 2011, 84, 5, 053853 - 1 - 8


37 A theoretical analysis of the dissociation of OH radical: Fine-structure distributions of the O(3PJ) product
Yuan-Jun Li, Pei-Yu Zhang
Journal of Theoretical and Computational Chemistry, 2011, 10, 6, 747 - 767


38 TD-DFT study on fluoride-sensing mechanism of 2-(2'-phenylureaphenyl) benzoxazole: the way to inhibit the ESIPT process
Guang-Yue Li, Tian-Shu Chu
Physical Chemistry Chemical Physics, 2011, 13, 46, 20766 - 20771


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