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A Study of Excitation Delocalization/Localization in Multibranched Chromophores by Using Fluorescence Excitation Anisotropy Spectroscopy 期刊论文
CHEMPHYSCHEM, 2016, 卷号: 17, 期号: 3, 页码: 406-411
Authors:  Li, Yang;  He, Guiying;  Wang, Xian;  Guo, Qianjin;  Niu, Yingli;  Xia, Andong
Favorite  |  View/Download:15/0  |  Submit date:2017/01/23
Ab Initio Calculations  Chromophores  Delocalization  Energy Transfer  Fluorescence  
DFT Methods to Study the Reaction Mechanism of Iridium-Catalyzed Hydrogenation of Olefins: Which Functional Should be Chosen? 期刊论文
CHEMPHYSCHEM, 2016, 卷号: 17, 期号: 1, 页码: 119-127
Authors:  Sun, Yihua;  Chen, Hui
Favorite  |  View/Download:22/0  |  Submit date:2016/03/14
Ab Initio Calculations  Density Functional Theory Calculations  Homogeneous Catalysis  Hydrogenation  Iridium  
Excited-State Deactivation of Branched Phthalocyanine Compounds 期刊论文
CHEMPHYSCHEM, 2015, 卷号: 16, 期号: 18, 页码: 3893-3901
Authors:  Zhu, Huaning;  Li, Yang;  Chen, Jun;  Zhou, Meng;  Niu, Yingli;  Zhang, Xinxing;  Guo, Qianjin;  Wang, Shuangqing;  Yang, Guoqiang;  Xia, Andong
Favorite  |  View/Download:25/0  |  Submit date:2016/02/22
Ab Initio Calculations  Energy Transfer  Time-resolved Spectroscopy  Molecular Dynamics  Phthalocyanines  
How to Optimize the Interface between Photosensitizers and TiO2 Nanocrystals with Molecular Engineering to Enhance Performances of Dye-Sensitized Solar Cells? 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2015, 卷号: 7, 期号: 45, 页码: 25341-25351
Authors:  Zheng, Jiaxin;  Zhang, Kai;  Fang, Yanyan;  Zuo, Yunxing;  Duan, Yandong;  Zhuo, Zengqing;  Chen, Xuanming;  Yang, Wanli;  Lin, Yuan;  Wong, Man Shing;  Pan, Feng
Favorite  |  View/Download:31/0  |  Submit date:2015/12/28
Dsscs  Metal-free Photosensitizer  Interface  Steric Effect  Electronic Structure  Ab Initio Calculations  
Janus Solid-Liquid Interface Enabling Ultrahigh Charging and Discharging Rate for Advanced Lithium-Ion Batteries 期刊论文
NANO LETTERS, 2015, 卷号: 15, 期号: 9, 页码: 6102-6109
Authors:  Zheng, Jiaxin;  Hou, Yuyang;  Duan, Yandong;  Song, Xiaohe;  Wei, Yi;  Liu, Tongchao;  Hu, Jiangtao;  Guo, Hua;  Zhuo, Zengqing;  Liu, Lili;  Chang, Zheng;  Wang, Xiaowei;  Zherebetskyy, Danylo;  Fang, Yanyan;  Lin, Yuan;  Xu, Kang;  Wang, Lin-Wang;  Wu, Yuping;  Pan, Feng
Favorite  |  View/Download:40/0  |  Submit date:2015/11/02
Lifepo4  Rate Performance  Aqueous Electrolyte  Organic Electrolyte  Solid-liquid Interface  Ab Initio Calculations  
Photoelectron Imaging Spectroscopy of ZrO- Diatomic Anion 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 28, 期号: 4, 页码: 452-458
Authors:  Liu, Qing-yu;  Hu, Lian-rui;  Chen, Hui;  He, Sheng-gui
Favorite  |  View/Download:26/0  |  Submit date:2015/11/02
Diatomic Molecules  Electronic Structure  Spin-orbit Splitting  Photoelectron Imaging Spectroscopy  Ab Initio Calculations  
Structures and Reactivity of Oxygen-Rich Scandium Cluster Anions ScO3-5- 期刊论文
CHEMPHYSCHEM, 2012, 卷号: 13, 期号: 5, 页码: 1282-1288
Authors:  Tian, Li-Hua;  Zhao, Yan-Xia;  Wu, Xiao-Nan;  Ding, Xun-Lei;  He, Sheng-Gui;  Ma, Tong-Mei
Favorite  |  View/Download:2/0  |  Submit date:2019/04/09
Ab Initio Calculations  Anions  c?c?C?c?h Activation  Gas-phase Reactions  Scandium  
A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise's Anion and Its Bromine and Iodine Analogues 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2012, 卷号: 51, 期号: 26, 页码: 6356-6360
Authors:  Hou, Gao-Lei;  Wen, Hui;  Lopata, Kenneth;  Zheng, Wei-Jun;  Kowalski, Karol;  Govind, Niranjan;  Wang, Xue-Bin;  Xantheas, Sotiris S.
Favorite  |  View/Download:5/0  |  Submit date:2019/04/09
Ab Initio Calculations  Excited States  Organometallic Compounds  Photoelectron Spectroscopy  Zeise's Anion  
First-principles investigation of organic semiconductors for thermoelectric applications 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 22
Authors:  Wang, Dong;  Tang, Ling;  Long, Mengqiu;  Shuai, Zhigang
Favorite  |  View/Download:1/0  |  Submit date:2019/04/09
Ab Initio Calculations  Band Structure  Carrier Density  Organic Semiconductors  Seebeck Effect  
Ultrafast Structural Dynamics of Biomolecules Examined by Multiple-Mode 2D IR Spectroscopy: Anharmonically Coupled Motions are in Harmony 期刊论文
CHEMPHYSCHEM, 2009, 卷号: 10, 期号: 13, 页码: 2242-2250
Authors:  Wang, Jianping;  Cai, Kaicong;  Ma, Xiaoyan
Favorite  |  View/Download:6/0  |  Submit date:2019/04/09
Ab Initio Calculations  Biomolecules  Ir Spectroscopy  Molecular Dynamics  Quantum Chemistry