CORC

在结果中检索

CORC

浏览/检索结果: 共58条，第1-10条 帮助

已选(0)清除 条数/页：   排序方式：
Benzimidazobenzothiazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes: A quantum-chemical TD-DFT study 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 192, 页码: 297-303
作者:  Zhu, Qiuling[1];  Wen, Keke[2];  Feng, Songyan[3];  Guo, Xugeng[4];  Zhang, Jinglai[5]
收藏  |  浏览/下载：14/0  |  提交时间：2019/12/23
The excited-state intramolecular proton transfer in N-H-type dye molecules with a seven-membered-ring intramolecular hydrogen bond: A theoretical insight 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 191, 页码: 421-426
作者:  Yuan, Huijuan[1];  Feng, Songyan[2];  Wen, Keke[3];  Guo, Xugeng[4];  Zhang, Jinglai[5]
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/23
Exploring the properties of carbazole-based derivatives as hole transport materials from first principle and MD simulation 期刊论文
ORGANIC ELECTRONICS, 2018, 卷号: 54, 页码: 14-20
作者:  Li, Yuanyuan[1];  Zhang, Yue[2];  Heng, Panpan[3];  Shao, Renjie[4];  Liu, Yi[5]
收藏  |  浏览/下载：9/0  |  提交时间：2019/12/23
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
Dialkylpyrazolium ionic liquids as novel catalyst for efficient fixation of CO2 with metal- and solvent-free 期刊论文
APPLIED CATALYSIS A-GENERAL, 2017, 卷号: 547, 页码: 265-273
作者:  Ma, Yuan[1];  Chen, Ci[2];  Wang, Tengfei[3];  Zhang, Jingshun[4];  Wu, JiaJia[5]
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/23
Tunable excited-state intramolecular proton transfer reactions with N-H or O-H as a proton donor: A theoretical investigation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 187, 页码: 9-14
作者:  Li, Yuanyuan[1];  Wen, Keke[2];  Feng, Songyan[3];  Yuan, Huijuan[4];  An, Beibei[5]
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/23
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
Benzyl substituted imidazolium ionic liquids as efficient solvent-free catalysts for the cycloaddition of CO2 with epoxides: Experimental and Theoretic study 期刊论文
JOURNAL OF CO2 UTILIZATION, 2017, 卷号: 22, 页码: 44-52
作者:  Wang, Tengfei[1];  Zheng, Danning[2];  Ma, Yuan[3];  Guo, Jiayi[4];  He, Zhipeng[5]
收藏  |  浏览/下载：8/0  |  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
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

©版权所有 ©2017 CSpace - Powered by CSpace