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Structural and Electronic Properties of ConC3-/0 and ConC4-/0(n=1-4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 717-726
Authors:  Xu, Xi-ling;  Yuan, Jin-yun;  Yang, Bin;  Xu, Hong-guang;  Zheng, Wei-jun
Favorite  |  View/Download:1/0  |  Submit date:2019/04/09
Photoelectron Spectroscopy  Transition Metal Carbide  Structural Evolution  Density Functional Calculations  
Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 664-670
Authors:  Jie, Jia-long;  Wang, Chen;  Zhao, Hong-mei;  Song, Di;  Su, Hong-mei
Favorite  |  View/Download:2/0  |  Submit date:2019/04/09
Dna Adenine  Deprotonation Rate Constant  Activation Energy Barrier  Density Functional Theory Calculation  
Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 735-760
Authors:  Li, De-zhang;  Chen, Zi-fei;  Zhang, Zhi-jun;  Liu, Jian
Favorite  |  View/Download:10/0  |  Submit date:2019/04/09
Stochastic Process  Thermostat  Molecular Dynamics  Virtual Dynamics  Andersen Thermostat  Canonical Ensemble  
Phosphorescent Cationic Iridium(III) Complexes with 1,3,4-Oxadiazole Cyclometalating Ligands: Solvent-Dependent Excited-State Dynamics 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 3, 页码: 259-267
Authors:  Kuang, Zhuoran;  Wang, Xian;  Wang, Zhen;  He, Guiying;  Guo, Qianjin;  He, Lei;  Xia, Andong
Favorite  |  View/Download:10/0  |  Submit date:2018/04/19
Iridium Complex  Phosphorescence  Metal-to-ligand Charge Transfer  Transient Absorption  Solvation  
Theoretical Study on Mechanism and Kinetics of Reaction of O(P-3) with Propane 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 4, 页码: 430-436
Authors:  Jing, Fu-qiang;  Cao, Jian-wei;  Liu, Xiao-jun;  Hu, Yu-feng;  Ma, Hai-tao;  Bian, Wen-sheng
Favorite  |  View/Download:27/0  |  Submit date:2016/12/29
Reaction Mechanism  Thermal Rate Constant  Variational Transition State Theory  Isotope Effect  
Light-Induced Reaction of Benzene with Carbonates 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 3, 页码: 319-324
Authors:  Ji, Ming-song;  Dong, Chun-hua;  Zhang, Hua-ye;  Yang, Xin-zheng
Favorite  |  View/Download:21/0  |  Submit date:2016/12/29
Benzene  Carbonates  Light-induced Reaction  Density Function Theory Calculation  Mechanism  
Photoelectron Spectroscopy and Density Functional Calculations of TiGen-(n=7-12) Clusterst 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 1, 页码: 123-128
Authors:  Deng, Xiao-jiao;  Kong, Xiang-yu;  Xu, Xi-ling;  Xu, Hong-guang;  Zheng, Wei-jun
Favorite  |  View/Download:15/0  |  Submit date:2017/01/23
Photoelectron Spectroscopy  Density Functional Theory  Germanium Clusters  
Vibrational and Structural Dynamics of Mn(CO)(5)Br and Re(CO)(5)Br Examined Using Nonlinear Infrared Spectroscopy 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 1, 页码: 81-86
Authors:  Feng, Min-jun;  Yang, Fan;  Wang, Jian-ping
Favorite  |  View/Download:18/0  |  Submit date:2017/01/23
Transition Metal Carbonyl  Transient Ir Spectroscopy  Vibrational Relaxation  Anharmonicity  
Photochemical Reaction of Benzoin Caged Compound: Time-Resolved Fourier Transform Infrared Spectroscopy Study 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 1, 页码: 91-98
Authors:  Dai, Xiao-juan;  Yu, You-qing;  Liu, Kun-hui;  Su, Hong-mei
Favorite  |  View/Download:18/0  |  Submit date:2017/01/23
Benzoin  Caged Compound  Photo-deprotection  Time-resolved Infrared Spectroscopy  
Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 28, 期号: 4, 页码: 431-439
Authors:  Jing, Yuan-yuan;  Song, Kai;  Bai, Shu-ming;  Shi, Qiang
Favorite  |  View/Download:28/0  |  Submit date:2015/11/02
Linear Spectra  Nonlinear Spectra  Light Harvesting Complexes  Modified Redfield Method