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CORC

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Catalytic mechanism of human N-acetylserotonin methyltransferase: a theoretical investigation 期刊论文
MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 22, 页码: 3438-3449
作者:  Wang, Li;  Zhang, Ting;  Li, Jieqiong;  He, Chaozheng;  He, Hongqing
收藏  |  浏览/下载：23/0  |  提交时间：2015/12/29
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
作者:  Li, Ya;  Wang, Li;  Huang, Tengfei;  Zhang, Jinglai;  He, Hongqing
收藏  |  浏览/下载：19/0  |  提交时间：2015/10/09
Insight into the catalytic activity for a series of synthesized and newly designed phosphonium-based ionic liquids on the fixation of carbon dioxide 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 134, 期号: 6
作者:  Wang, Li;  Li, Ping;  Li, Ya;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载：15/0  |  提交时间：2015/07/20
Mechanism of fixation of CO2 with an epoxide catalyzed by ZnBr2 and a choline chloride co-catalyst: a DFT study 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 67, 页码: 54266-54274
作者:  Huang, Tengfei;  Fang, Lei;  Li, Ya;  He, Hongqing;  Wang, Li
收藏  |  浏览/下载：17/0  |  提交时间：2015/08/18
Tuning the electronic and phosphorescence properties of blue-emitting iridium(III) complexes through different cyclometalated ligand substituents: a theoretical investigation 期刊论文
DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 18, 页码: 8577-8589
作者:  Li, Jieqiong;  Zhang, Qing;  He, Hongqing;  Wang, Li;  Zhang, Jinglai
收藏  |  浏览/下载：19/0  |  提交时间：2015/07/06
Theoretical study on dynamics of the gas phase reactions of CF3CF2CH2OCHF2 with OH radicals 期刊论文
JOURNAL OF FLUORINE CHEMISTRY, 2014, 卷号: 168, 页码: 25-33
作者:  Wang, Li;  Zhang, Ting;  Wen, Jinmiao;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载：17/0  |  提交时间：2015/06/24
A theoretical study on the mechanism and dynamics of reactions (CF3)(2)CHOCH2F/(CF3)(2)CHOCHF2 with OH radical 期刊论文
MOLECULAR PHYSICS, 2014, 卷号: 112, 期号: 22, 页码: 2987-2996
作者:  Wang, Chunzhang;  Wen, Jinmiao;  He, Hongqing;  Wang, Li
收藏  |  浏览/下载：11/0  |  提交时间：2015/06/24
Photoinduced excited state intramolecular proton transfer of 2-(2 '-hydroxyphenyl)phenanthro[9,10-d]oxazole: A comprehensive theoretical study 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2014, 卷号: 294, 页码: 14-19
作者:  Wang, Li;  Zhang, Yanxin;  Li, Yuanyuan;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载：17/0  |  提交时间：2015/06/24
The mechanism and dynamic studies for the reactions of OH radical with CH3-nFnOCF2CHFCl (n=0, 1, and 2) 期刊论文
JOURNAL OF FLUORINE CHEMISTRY, 2014, 卷号: 164, 页码: 1-9
作者:  Wang, Li;  Wen, Jinmiao;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载：15/0  |  提交时间：2015/06/24
Color tuning from red to green of bis-cyclometalated iridium(III) emitters based on benzoimidazole ligands in OLEDs: A DFT and TD-DFT investigation 期刊论文
SYNTHETIC METALS, 2014, 卷号: 194, 页码: 160-169
作者:  Wang, Li;  Wang, Na;  Zhang, Yanxin;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载：33/0  |  提交时间：2015/06/24

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