1674-0068
2013 Issue 6
Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Complexes Induced by Electronic Excitation and Bulk Solvent Effect
Chao Sun;,Jie Liu;,Wan-zhen Liang;,Yi Zhao;
Chao Sun;,Jie Liu;,Wan-zhen Liang;,Yi Zhao;
..............page:617-626
Quasi-classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution
Jun Li;,Hua Guo;
Jun Li;,Hua Guo;
..............page:627-634
Time-dependent Density Functional-based Tight-bind Method Efficiently Implemented with OpenMP Parallel and GPU Acceleration
Guo-hong Fan;,Ke-li Han;,Guo-zhong He;
Guo-hong Fan;,Ke-li Han;,Guo-zhong He;
..............page:635-645
Suppression of Photoinduced BBO Defects Generation on TiO2(110) by Water
Chen-biao Xu;,Wen-shao Yang;,Qing Guo;,Dong-xu Dai;,Mao-du Chen;,Xue-ming Yang;
Chen-biao Xu;,Wen-shao Yang;,Qing Guo;,Dong-xu Dai;,Mao-du Chen;,Xue-ming Yang;
..............page:646-650
Ultrafast Excited State Dynamics of trans-4-Aminoazobenzene Studied by Femtosecond Transient Absorption Spectroscopy
Ya-ping Wang;,Song Zhang;,Si-mei Sun;,Kai Liu;,Bing Zhang;
Ya-ping Wang;,Song Zhang;,Si-mei Sun;,Kai Liu;,Bing Zhang;
..............page:651-655
Theoretical Study on the Rotational Spectra of Ar-D232S Complex
Jin-ping Lei;,Yan-zi Zhou;,Dai-qian Xie;
Jin-ping Lei;,Yan-zi Zhou;,Dai-qian Xie;
..............page:656-660
Theoretical Investigation on the Absence of Spore Photoproduct Analogue at Cytosine-Thymine Site
Qian Du;,Hong-mei Zhao;,Hong-mei Su;
Qian Du;,Hong-mei Zhao;,Hong-mei Su;
..............page:661-668
State-to-state Photoionization Dynamics of Vanadium Nitride by Two-color Laser Photoionization and Photoelectron Methods
Huang Huang;,Zhi-hong Luo;,Yih Chung Chang;,Kai-Chung Lau;,C.Y.Ng;
Huang Huang;,Zhi-hong Luo;,Yih Chung Chang;,Kai-Chung Lau;,C.Y.Ng;
..............page:669-678
Experimental and Theoretical Study of Reactions between Manganese Oxide Cluster Cations and Hydrogen Sulfide
Mei-ye Jia;,Sheng-gui He;,Mao-fa Ge;
Mei-ye Jia;,Sheng-gui He;,Mao-fa Ge;
..............page:679-686
Infrared Photodissociation Spectroscopy of Ti+(CO2)2Ar and Ti+(CO2)n (n=3-7) Complexes
Xiao-peng Xing;,Guan-jun Wang;,Cai-xia Wang;,Ming-fei Zhou;
Xiao-peng Xing;,Guan-jun Wang;,Cai-xia Wang;,Ming-fei Zhou;
..............page:687-693
Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism
Qiang Zhang;,Bing-bing Zhang;,Ling Jiang;,Wei Zhuang;
Qiang Zhang;,Bing-bing Zhang;,Ling Jiang;,Wei Zhuang;
..............page:694-700
Laser-induced Fluorescence Spectroscopy of CoS: Identification of a New Excited State Arising from the Ground State
Jian-zheng Zang;,Qun Zhang;,De-ping Zhang;,Cheng-bing Qin;,Qiang Zhang;,Yang Chen;
Jian-zheng Zang;,Qun Zhang;,De-ping Zhang;,Cheng-bing Qin;,Qiang Zhang;,Yang Chen;
..............page:701-704
Steric Effects in the Cl+CHD3(v1=1) Reaction
Fengyan Wang;,Kopin Liu;
Fengyan Wang;,Kopin Liu;
..............page:705-709
Coherent Vibrational Dynamics and High-resolution Nonlinear Spectroscopy: A Comparison with the Air/DMSO Liquid Interface
Luis Velarde;,Zhou Lu;,Hong-fei Wang;
Luis Velarde;,Zhou Lu;,Hong-fei Wang;
..............page:710-720
Two-Dimensional Infrared Spectroscopy of the Photoproduct of π-Cyclopentadienyliron Dicarbonyl Dimer
Fan Yang;,Peng-yun Yu;,Ji-pei Shi;,Juan Zhao;,Xue-mei He;,Jian-ping Wang;
Fan Yang;,Peng-yun Yu;,Ji-pei Shi;,Juan Zhao;,Xue-mei He;,Jian-ping Wang;
..............page:721-728
Sequential Observation of Alkali-halide Gas Phase Clusters in High Resolution TOF-MS and Prediction of Their Structures
Hui Wen;,Yi-rong Liu;,Kang-ming Xu;,Teng Huang;,Chang-jin Hu;,Wei-jun Zhang;,Wei Huang;
Hui Wen;,Yi-rong Liu;,Kang-ming Xu;,Teng Huang;,Chang-jin Hu;,Wei-jun Zhang;,Wei Huang;
..............page:729-738
Thermal-induced Unfolding of β-Crystallin and Disassembly of its Oligomers Revealed by Temperature-Jump Time-Resolved Infrared Spectroscopy
Shan-shan Li;,Ying-ying Yu;,De-yong Li;,Xiao-chuan He;,Yong-zhen Bao;,Yu-xiang Weng;
Shan-shan Li;,Ying-ying Yu;,De-yong Li;,Xiao-chuan He;,Yong-zhen Bao;,Yu-xiang Weng;
..............page:739-746
Cyclic M(SO2) (M=Zn, Cd) and its Anions: Matrix Infrared Spectra and DFT Calculations
Guang-jun Li;,Xing Liu;,Jie Zhao;,Bing Xu;,Xue-feng Wang;
Guang-jun Li;,Xing Liu;,Jie Zhao;,Bing Xu;,Xue-feng Wang;
..............page:747-754
Mapped Finite Element Discrete Variable Representation
De-quan Yu;,Shu-lin Cong;,Dong H.Zhang;,Zhi-gang Sun;
De-quan Yu;,Shu-lin Cong;,Dong H.Zhang;,Zhi-gang Sun;
..............page:755-764
Chemical Dynamics Simulations of the Hydroxyl Radical Reaction with Ethene
Jiaxu Zhang;,Li Yang;,Diego Troya;
Jiaxu Zhang;,Li Yang;,Diego Troya;
..............page:765-773
Design Near-threshold Photoelectron Imaging Spectrometer Based on UV Laser Induced Photoelectron Emission Anion Source
Zheng-bo Qin;,Xia Wu;,Zi-chao Tang;
Zheng-bo Qin;,Xia Wu;,Zi-chao Tang;
..............page:774-779
Theoretical Characterization of Chiral Carbon Nanotube Encapsulating Ellipsoidal C70
Er-jun Kan;,Qiu-shi Yao;
Er-jun Kan;,Qiu-shi Yao;
..............page:780-783
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