Volume 30; Issue 6

Chinese Journal of Chemical Physics

Volume 30; Issue 6

1

Mechanistic Insights into the Photophysics of Ortho-hydroxyl GFP Core Chromophores

Guo, Wei-wei, Fang, Ye-guang, Fang, Qiu, Cui, Gang-long

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 6.57 MB

english, 2017

2

Direct Vibrational Energy Transfer in Monomeric Water Probed with Ultrafast Two Dimensional Infrared Spectroscopy

Zhou, De-xia, Wei, Qian-shun, Bian, Hong-tao, Zheng, Jun-rong

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.90 MB

english, 2017

3

Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical

Jie, Jia-long, Wang, Chen, Zhao, Hong-mei, Song, Di, Su, Hong-mei

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.92 MB

english, 2017

4

Accelerating the Construction of Neural Network Potential Energy Surfaces: A Fast Hybrid Training Algorithm

Zhang, Yao-long, Zhou, Xue-yao, Jiang, Bin

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.29 MB

english, 2017

5

Crossed Molecular Beam Study of H+CH 4 and H+CD 4 Reactions: Vibrationally Excited CH 3 /CD 3 Product Channels

Chen, Wen-tao, Yu, Sheng-rui, Yuan, Dao-fu, Xie, Ting, Yang, Jia-yue, Wang, Si-wen, Luo, Chang, Tan, Yu-xin, Miao, Yue, Zhang, Wei-qing, Wu, Guo-rong, Yang, Xue-ming, Wang, Xing-an

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.20 MB

english, 2017

6

Efficient Preparation of D 2 Molecules in v =2 by Stimulated Raman Pumping

Yang, Tian-gang, Huang, Long, Wang, Tao, Xiao, Chun-lei, Dai, Dong-xu, Yang, Xue-ming

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.30 MB

english, 2017

7

Coherent Exciton-Phonon Coupling in CdSe/ZnS Nanocrystals Studied by Two-Dimensional Electronic Spectroscopy

Wang, Rui, Huang, Xin-yu, Zhang, Chun-feng, Wang, Xiao-yong, Xiao, Min

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.18 MB

english, 2017

8

Modification of Surface Reactivity by CO: Effects on Decomposition and Polymerization of Acetaldehyde on Ru(0001)

Chen, Xiao, Li, Fang-liang, Guo, Qing, Dai, Dong-xu, Yang, Xue-ming

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.40 MB

english, 2017

9

A Highly Sensitive Femtosecond Time-Resolved Sum Frequency Generation Vibrational Spectroscopy System with Simultaneous Measurement of Multiple Polarization Combinations

Tan, Junjun, Luo, Yi, Ye, Shuji

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.63 MB

english, 2017

10

Ab initio Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation of CO in the Heme Distal Pocket of Myoglobin

Wang, Xian-wei, Zhang, John Z. H., He, Xiao

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 10.24 MB

english, 2017

11

Structural and Electronic Properties of Co n C 3−/0 and Co n C 4−/0 ( n =1−4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations

Xu, Xi-ling, Yuan, Jin-yun, Yang, Bin, Xu, Hong-guang, Zheng, Wei-jun

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.47 MB

english, 2017

12

Long-lived Single Excitons, Trions, and Biexcitons in CdSe/CdTe Type-II Colloidal Quantum Wells

Wang, Jun-hui, Liang, Gui-jie, Wu, Kai-feng

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.78 MB

english, 2017

13

Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer

Zhang, Bing-bing, Kong, Xiang-tao, Jiang, Shu-kang, Zhao, Zhi, Xie, Hua, Hao, Ce, Dai, Dong-xu, Yang, Xue-ming, Jiang, Ling

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 909 KB

english, 2017

14

Quasiparticle Band Structures of Defects in Anatase TiO 2 Bulk

Chen, Ting-wei, Hao, Ya-nan, Ma, Yu-chen

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 181 KB

english, 2017

15

Photoelectron Spectroscopic Study of Methanol Adsorbed Rutile TiO 2 (110) Surface

Hao, Qun-qing, Wang, Zhi-qiang, Dai, Dong-xu, Zhou, Chuan-yao, Yang, Xue-ming

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 803 KB

english, 2017

16

An Exact Propagator for Solving the Triatomic Reactive Schrödinger Equation

Li, Xue-ming, Sun, Zhi-gang

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.71 MB

english, 2017

17

Exploring the Interactions of Atomic Oxygen on Silver Clusters with Hydrogen

Cao, Xi-zi, Yin, Bao-qi, Wang, Ting-ting, Xing, Xiao-peng

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.44 MB

english, 2017

18

Contacted Ion Pairs in Aqueous CuCl 2 by the Combination of Ratio Spectra, Difference Spectra, Second Order Difference Spectra in the UV-Visible Spectra

Ju, Si-wen, Zhang, Ning, Wang, Zhi-qiang, Zhang, Rui-ting, Zeng, De-wen, Shao, Xiao-peng, Lin, Ke

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.40 MB

english, 2017

19

Comparison of Accuracy and Convergence Rate between Equilibrium and Nonequilibrium Alchemical Transformations for Calculation of Relative Binding Free Energy

Li, Peng-fei, Jia, Xiang-yu, Wang, Mei-ting, Mei, Ye

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.56 MB

english, 2017

20

Ionization Suppression of Heteronuclear Diatomic and Triatomic Molecules in Strong Infrared Laser Fields

Zhao, Lei, Wang, Rui, Zhang, Shi-wen, Yang, Tian-xiang, Lian, Yi, Lv, Hang, Xu, Hai-feng

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

21

Chinese Abstracts

Journal:

Chinese Journal of Chemical Physics

Year:

2017

File:

PDF, 595 KB

2017

22

Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH

Zheng, Jie, Xie, Yu, Jiang, Sheng-shi, Long, Yun-ze, Ning, Xin, Lan, Zheng-gang

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.27 MB

english, 2017

23

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

Hou, Dan, Zhang, Xiao-Long, Zhai, Yu, Li, Hui

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.76 MB

english, 2017

24

Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics

Li, De-zhang, Chen, Zi-fei, Zhang, Zhi-jun, Liu, Jian

Journal:

Chinese Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.46 MB

english, 2017

25

Chinese Abstracts

Journal:

Chinese Journal of Chemical Physics

Year:

2017

File:

PDF, 595 KB

2017

26

Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH

Zheng, Jie, Xie, Yu, Jiang, Sheng-shi, Long, Yun-ze, Ning, Xin, Lan, Zheng-gang

Journal:

Chinese Journal of Chemical Physics

Year:

2017

File:

PDF, 4.27 MB

2017

27

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

Hou, Dan, Zhang, Xiao-Long, Zhai, Yu, Li, Hui

Journal:

Chinese Journal of Chemical Physics

Year:

2017

File:

PDF, 1.76 MB

2017

28

Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics

Li, De-zhang, Chen, Zi-fei, Zhang, Zhi-jun, Liu, Jian

Journal:

Chinese Journal of Chemical Physics

Year:

2017

File:

PDF, 5.46 MB

2017