Volume 30,Issue 6,2017 Table of Contents

Other Issues:  


  Abstract(87)  View PDF(36)   [HTML]

Chinese abstract

Chinese Abstracts
  Abstract(93)  View PDF(38)   [HTML]


Crossed Molecular Beam Study of H+CH4 and H+CD4 Reactions: Vibrationally Excited CH3/CD3 Product Channels
  Wen-tao Chen, Sheng-rui Yu, Dao-fu Yuan, Ting Xie, Jia-yue Yang, Si-wen Wang, Chang Luo, Yu-xin Tan, Yue Miao, Wei-qing Zhang, Guo-rong Wu*, Xue-ming Yang* and Xing-an Wang*
  Abstract(228)  View PDF(131)   [HTML]
Efficient Preparation of D2 Molecules in v=2 by Stimulated Raman Pumping
  Tian-gang Yang, Long Huang, Tao Wang, Chun-lei Xiao*, Dong-xu Dai and Xue-ming Yang*
  Abstract(238)  View PDF(103)   [HTML]
Direct Vibrational Energy Transfer in Monomeric Water Probed with Ultrafast Two Dimensional Infrared Spectroscopy
  De-xia Zhou, Qian-shun Wei, Hong-tao Bian* and Jun-rong Zheng*
  Abstract(229)  View PDF(107)   [HTML]
Photoelectron Spectroscopic Study of Methanol Adsorbed Rutile TiO2(110) Surface
  Qun-qing Hao, Zhi-qiang Wang, Dong-xu Dai, Chuan-yao Zhou* and Xue-ming Yang*
  Abstract(207)  View PDF(148)   [HTML]
Ionization Suppression of Heteronuclear Diatomic and Triatomic Molecules in Strong Infrared Laser Fields
  Lei Zhao, Rui Wang, Shi-wen Zhang, Tian-xiang Yang, Yi Lian, Hang Lv* and Hai-feng Xu*
  Abstract(160)  View PDF(89)   [HTML]
Coherent Exciton-Phonon Coupling in CdSe/ZnS Nanocrystals Studied by Two-Dimensional Electronic Spectroscopy
  Rui Wang, Xin-yu Huang, Chun-feng Zhang*, Xiao-yong Wang and Min Xiao
  Abstract(188)  View PDF(125)   [HTML]
Modification of Surface Reactivity by CO: Effects on Decomposition and Polymerization of Acetaldehyde on Ru(0001)
  Xiao Chen, Fang-liang Li, Qing Guo*, Dong-xu Dai and Xue-ming Yang*
  Abstract(180)  View PDF(71)   [HTML]
Long-lived Single Excitons, Trions, and Biexcitons in CdSe/CdTe Type-Ⅱ Colloidal Quantum Wells
  Jun-hui Wang, Gui-jie Liang and Kai-feng Wu*
  Abstract(214)  View PDF(119)   [HTML]
Contacted Ion Pairs in Aqueous CuCl2 by the Combination of Ratio Spectra, Difference Spectra, Second Order Difference Spectra in the UV-Visible Spectra
  Si-wen Ju, Ning Zhang, Zhi-qiang Wang, Rui-ting Zhang, De-wen Zeng, Xiao-peng Shao and Ke Lin*
  Abstract(216)  View PDF(116)   [HTML]
Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical
  Jia-long Jie, Chen Wang, Hong-mei Zhao, Di Song* and Hong-mei Su*
  Abstract(147)  View PDF(115)   [HTML]
A Highly Sensitive Femtosecond Time-Resolved Sum Frequency Generation Vibrational Spectroscopy System with Simultaneous Measurement of Multiple Polarization Combinations
  Junjun Tan, Yi Luo and Shuji Ye*
  Abstract(157)  View PDF(76)   [HTML]
Infrared Spectra and Theoretical Calculations of BS2 and BS2-: Strong Pseudo Jahn-Teller Effect
  Jie Zhao, Wen-jie Yu, Teng-fei Huang and Xue-feng Wang*
  Abstract(154)  View PDF(79)   [HTML]
Exploring the Interactions of Atomic Oxygen on Silver Clusters with Hydrogen
  Xi-zi Cao, Bao-qi Yin, Ting-ting Wang and Xiao-peng Xing*
  Abstract(180)  View PDF(77)   [HTML]
Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer
  Bing-bing Zhang, Xiang-tao Kong, Shu-kang Jiang, Zhi Zhao, Hua Xie, Ce Hao, Dong-xu Dai, Xue-ming Yang and Ling Jiang*
  Abstract(176)  View PDF(146)   [HTML]
Mechanistic Insights into the Photophysics of Ortho-hydroxyl GFP Core Chromophores
  Wei-wei Guo, Ye-guang Fang, Qiu Fang* and Gang-long Cui*
  Abstract(130)  View PDF(75)   [HTML]
Ab initio Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation of CO in the Heme Distal Pocket of Myoglobin
  Xian-wei Wang, John Z. H. Zhang and Xiao He*
  Abstract(195)  View PDF(68)   [HTML]
Structural and Electronic Properties of ConC3-/0 and ConC4-/0 (n=1-4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations
  Xi-ling Xu, Jin-yun Yuan, Bin Yang, Hong-guang Xu and Wei-jun Zheng*
  Abstract(135)  View PDF(85)   [HTML]
Accelerating the Construction of Neural Network Potential Energy Surfaces: A Fast Hybrid Training Algorithm
  Yao-long Zhang, Xue-yao Zhou and Bin Jiang*
  Abstract(163)  View PDF(110)   [HTML]
Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics
  De-zhang Li, Zi-fei Chen, Zhi-jun Zhang and Jian Liu*
  Abstract(156)  View PDF(149)   [HTML]
An Exact Propagator for Solving the Triatomic Reactive Schrödinger Equation
  Xue-ming Li and Zhi-gang Sun*
  Abstract(151)  View PDF(111)   [HTML]
Quasiparticle Band Structures of Defects in Anatase TiO2 Bulk
  Ting-wei Chen, Ya-nan Hao and Yu-chen Ma*
  Abstract(169)  View PDF(116)   [HTML]
The Role of High Excitations in Constructing Sub-spectroscopic Accuracy Intermolecular Potential of He-HCN: Critically Examined by the High-Resolution Spectra with Resonance States
  Dan Hou, Xiao-Long Zhang, Yu Zhai and Hui Li*
  Abstract(218)  View PDF(153)   [HTML]
Comparison of Accuracy and Convergence Rate between Equilibrium and Nonequilibrium Alchemical Transformations for Calculation of Relative Binding Free Energy
  Peng-fei Li, Xiang-yu Jia, Mei-ting Wang and Ye Mei*
  Abstract(153)  View PDF(82)   [HTML]
Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH
  Jie Zheng, Yu Xie*, Sheng-shi Jiang, Yun-ze Long, Xin Ning and Zheng-gang Lan*
  Abstract(704)  View PDF(113)   [HTML]
Salting-in/Salting-out Mechanism of Carbon Dioxide in Aqueous Electrolyte Solutions
  Xia Zhang, Lu Zhang, Tan Jin, Zhi-jun Pan, Zhe-ning Chen, Qiang Zhang* and Wei Zhuang*
  Abstract(194)  View PDF(114)   [HTML]