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浏览/检索结果: 共27条，第1-10条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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[1];  Wang, Li[2];  Huang, Tengfei[3];  Zhang, Jinglai[4];  He, Hongqing[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 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[1];  Fang, Lei[2];  Li, Ya[3];  He, Hongqing[4];  Wang, Li[5] 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/23 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[1];  Zhang, Ting[2];  Li, Jieqiong[3];  He, Chaozheng[4];  He, Hongqing[5] 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/23 human N-acetylserotonin methyltransferase  DFT  deprotonation  S-adenosyl-L-methionine  methyl-transfer mechanism   Elucidation of hydrogen-release mechanism from methylamine in the presence of borane, alane, diborane, dialane, and borane-alane 期刊论文 MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 1, 页码: 79-88 作者:  Wang, Li[1];  Zhang, Ting[2];  He, Hongqing[3];  Zhang, Jinglai[4] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 reaction mechanisms  hydrogen elimination  catalysis   Dual emission behavior of phenyleneethynylene gold(I) complexes dictated by intersystem crossing: A theoretical perspective 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 137, 页码: 259-266 作者:  Wang, Li[1];  Li, Yuanyuan[2];  Zhang, Yanxin[3];  He, Hongqing[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Gold(I) complexes  ISC  Dual emission  Delayed fluorescence  TD-DFT  CASSCF   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[1];  Zhang, Qing[2];  He, Hongqing[3];  Wang, Li[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/23 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[1];  Li, Ping[2];  Li, Ya[3];  He, Hongqing[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23 Functionalized phosphonium-based ionic liquids  CO2  Chain length  Cation   A large-scale screen for coding variants predisposing to psoriasis 期刊论文 NATURE GENETICS, 2014, 卷号: 46, 页码: 45-+ 作者:  Tang, Huayang[1];  Jin, Xin[2,3];  Li, Yang[1];  Jiang, Hui[2];  Tang, Xianfa[1] 收藏  |  浏览/下载：14/0  |  提交时间：2019/04/25 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[1];  Zhang, Yanxin[2];  Li, Yuanyuan[3];  He, Hongqing[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/23 Excited state intramolecular proton transfer  Ab initio  Tautomerization  Surface crossing   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[1];  Wen, Jinmiao[2];  He, Hongqing[3];  Wang, Li[4] 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23 direct dynamics method  density functional theory  rate constants