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Inhomogeneities of charge distribution in porous graphitic carbon nitride g-CxNy nanosheets 期刊论文
European Physical Journal D, 2020, 卷号: 74, 期号: 12
作者:  Liang, Zefen;  He, Tianxiang;  Xue, Hongtao;  Tang, Fuling;  Fan, Ding
收藏  |  浏览/下载:11/0  |  提交时间:2022/02/18
Complexation of trivalent lanthanides and actinides with diethylenetriaminepentaacetic acid: Theoretical unraveling of bond covalency 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 299
作者:  Chen, Yan-Mei;  Wang, Cong-Zhi;  Wu, Qun-Yan;  Lan, Jian-Hui;  Chai, Zhi-Fang
收藏  |  浏览/下载:70/0  |  提交时间:2020/12/16
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 27, 页码: 15106-15119
作者:  Zhu, Zhengdan;  Wang, Guimin;  Xu, Zhijian;  Chen, Zhaoqiang;  Wang, Jinan
收藏  |  浏览/下载:33/0  |  提交时间:2020/07/01
Structure effect on transition mechanism of UV-visible absorption spectrum in polyimides: A density functional theory study 期刊论文
POLYMER, 2018, 卷号: 148, 页码: 356-369
作者:  Ma, YP;  Hu, CC;  Guo, HX;  Fan, L;  Yang, SY
收藏  |  浏览/下载:22/0  |  提交时间:2019/04/08
Theoretical Exploration of Halogen Bonding Interactions in the Complexes of Novel Nitroxide Radical Probes and Comparison with Hydrogen Bonds 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 22, 页码: 5058-5068
作者:  Zhao, Chengxi;  Lu, Yunxiang;  Zhu, Zhengdan;  Liu, Honglai
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
Theoretical studies on the synergistic extraction of am3+ and eu3+ with cmpo-hdehp and cmpo-heh[ehp] systems 期刊论文
Dalton transactions, 2018, 卷号: 47, 期号: 15, 页码: 5474-5482
作者:  Huang, Pin-Wen;  Wang, Cong-Zhi;  Wu, Qun-Yan;  Lan, Jian-Hui;  Song, Gang
收藏  |  浏览/下载:50/0  |  提交时间:2019/04/23
Theoretical investigation of twisted charge-transfer-promoted intramolecular proton transfer in the excited state of 4 '-dimethylaminoflavonol in a highly polar solvent 期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790
作者:  Wang, Yi;  Fei, Xu;  Tang, Zhe;  Yang, Yunfan;  Yang, Yi
收藏  |  浏览/下载:14/0  |  提交时间:2019/06/20
Theoretical studies on the synergistic extraction of Am3+ and Eu3+ with CMPO-HDEHP and CMPO-HEH[EHP] systems 期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 15, 页码: 5474-5482
作者:  Chai, ZF;  Song, G;  Lan, JH;  Wu, QY;  Wang, CZ
收藏  |  浏览/下载:19/0  |  提交时间:2019/09/24
Theoretical Insights into Preorganized Pyridylpyrazole-Based Ligands toward the Separation of Am(III)/Eu(III) 期刊论文
INORGANIC CHEMISTRY, 2018, 卷号: 57, 期号: 23, 页码: 14810-14820
作者:  Lan JH(蓝建慧);  Wu QY(吴群燕);  Kong XH(孔祥鹤);  Chai, Z. F.;  Wang, C. Z.
收藏  |  浏览/下载:18/0  |  提交时间:2019/10/11
Insight into the nature of M-C bonding in the lanthanide/actinide-biscarbene complexes: a theoretical perspective 期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 36, 页码: 12718-12725
作者:  Cheng, ZP;  Chai ZF(柴之芳);  Shi WQ(石伟群);  Wu, QY;  Lan, JH
收藏  |  浏览/下载:16/0  |  提交时间:2019/09/24


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