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Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 卷号: 54, 期号: 33, 页码: 8093-8099
Authors:  Li, Ya;  Wang, Li;  Huang, Tengfei;  Zhang, Jinglai;  He, Hongqing
Favorite  |  View/Download:65/0  |  Submit date:2015/10/09
The reasons for ligand-dependent quantum yields and spectroscopic properties of platinum(II) complexes based on tetradentate (ONCN)-N-boolean AND-C-boolean AND-N-boolean AND ligands: a DFT and TD-DFT study 期刊论文
DALTON TRANSACTIONS, 2014, 卷号: 43, 期号: 7, 页码: 2849-2858
Authors:  Wang, Li;  Wen, Jinmiao;  He, Hongqing;  Zhang, Jinglai
Favorite  |  View/Download:72/0  |  Submit date:2015/06/24
Substituent effects on electronic structure and spectral property of Zn(II) complexes based on the OONX ligands: DFT and TDDFT theoretical studies 期刊论文
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2014, 卷号: 192, 页码: 7-12
Authors:  Yu, Xiaohan;  Zhang, Yanxin;  Zhang, Jinglai;  He, Hongqing;  Wang, Li
Favorite  |  View/Download:69/0  |  Submit date:2015/06/24
Zn(Ii) Complexes  Spectroscopy  Substituent Effect  
Theoretical studies on the spectroscopic properties of a series of halide Zinc (II) complexes with pyridinylimine and pyridinylmethylamine derivatives 期刊论文
SYNTHETIC METALS, 2012, 卷号: 162, 期号: 23, 页码: 2138-2148
Authors:  Wang, Li;  Zhang, Yanxin;  Yu, Xiaohan;  He, Hongqing;  Zhang, Jinglai
Adobe PDF(1049Kb)  |  Favorite  |  View/Download:76/0  |  Submit date:2015/06/25
Td-dft  Spectroscopy  Zn (Ii) Complexes  
Direct ab initio dynamics study on the reaction of CH(3)CHF(2) (HFC-152a) with the Cl atom 期刊论文
CHEMPHYSCHEM, 2008, 卷号: 9, 期号: 6, 页码: 847-853
Authors:  Sun, Hao;  He, Hongqing;  Liu, Jingyao;  Li, Zesheng;  Pan, Xiumei;  Wang, Rongshun
Adobe PDF(305Kb)  |  Favorite  |  View/Download:61/0  |  Submit date:2015/10/13
Ab Initio Calculations  Hydrofluorocarbons  Kinetics  Radical Reactions  Reaction Mechanisms