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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 专题：河南大学    第一署名单位    第一作者单位    通讯作者单位     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 Solvent effect on the fixation of CO2 catalyzed by quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups: A combined molecular dynamics simulation and ONIOM study 期刊论文 MOLECULAR CATALYSIS, 2017, 卷号: 441, 页码: 134-139 作者:  Yang, Huiqing[1];  Guo, Jiayi[2];  Wen, Yaping[3];  Ren, Tiegang[4];  Wang, Li[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Quaternary ammonium-based ionic liquid  ONIOM  Hydrogen bond  Molecular dynamics  Solvent effect   Comprehension of the Effect of a Hydroxyl Group in Ancillary Ligand on Phosphorescent Property for Heteroleptic Ir(III) Complexes: A Computational Study Using Quantitative Prediction 期刊论文 INORGANIC CHEMISTRY, 2017, 卷号: 56, 期号: 15, 页码: 8986-8995 作者:  Wang, Xiaolin[1];  Yang, Huiqing[2];  Wen, Yaping[3];  Wang, Li[4];  Li, Junfeng[5] 收藏  |  浏览/下载：15/0  |  提交时间：2019/12/23 Effect of hydrogen bond on the viscosity of ionic liquid studied by combination of molecular dynamics and quantum chemistry 期刊论文 THEORETICAL CHEMISTRY ACCOUNTS, 2017, 卷号: 136, 期号: 9 作者:  Ma, Yuan[1];  Yang, Huiqing[2];  Guo, Jiayi[3];  Wang, Li[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Ionic liquid  Viscosity  Hydrogen bond  Molecular dynamics  Quantum chemistry   First-Principles and Molecular Dynamics on A-D(II)-A Type Sensitizers for Dye-Sensitized Solar Cells: Effects of Various Anchoring Groups on Electronic Coupling and Dye Aggregation 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 26, 页码: 14019-14026 作者:  Wen, Yaping[1];  Yang, Huiqing[2];  Zheng, Danning[3];  Sun, Kenan[4];  Wang, Li[5] 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23 Quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups as highly efficient catalysts for the fixation of CO2: a theoretical study by QM and MD 期刊论文 CATALYSIS SCIENCE & TECHNOLOGY, 2016, 卷号: 6, 期号: 21, 页码: 7773-7782 作者:  Yang, Huiqing[1];  Wang, Xin[2];  Ma, Yuan[3];  Wang, Li[4];  Zhang, Jinglai[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Theoretical study on the mechanism of chloroacetyl chloride decomposition 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1086, 页码: 52-57 作者:  Li, Ya[1];  Yang, Huiqing[2];  Jin, Linyu[3];  Wu, Wen-Peng[4];  Yang, Dagang[5] 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Theoretical study  CH2ClCOCl  Unimolecular dissociation   Polymorphisms in Genes of Tricarboxylic Acid Cycle Key Enzymes Are Associated with Early Recurrence of Hepatocellular Carcinoma 期刊论文 PLOS ONE, 2015, 卷号: 10, 期号: 4, 页码: e0124471 作者:  Wan, Shaogui[1];  Wu, Yousheng[2];  Zhou, Xingchun[3];  Chen, Yibing[4];  An, Jiaze[5] 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23