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CORC

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Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study 期刊论文
chemical physics letters, 2015, 卷号: 610—611, 期号: 1, 页码: 179
作者:  Wang DD(王丹丹);  RuiLü;  Yuan MH(袁明虎);  Chen JS(陈俊生);  Feng LQ(冯立强)
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
A DFT/TD-DFT study of thiazolidinedione derivative in dimethylformamide: Cooperative roles of hydrogen bondings;electronic and vibrational spectra 期刊论文
spectrochimica acta part a-molecular and biomolecular spectroscopy, 2014, 卷号: 125, 期号: 1, 页码: 131
作者:  Wang DD(王丹丹);  Lv R(吕锐);  Yuan MH(袁明虎);  Fu AP(傅爱萍);  Chu TS(楚天舒)
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
A DFT/TDDFT study of the excited state intramolecular proton transfer based sensing mechanism for the aqueous fluoride chemosensor BTTPB 期刊论文
rsc advances, 2014, 卷号: 4, 期号: 1, 页码: 254-259
作者:  Chen, Jun-Sheng;  Zhou, Pan-Wang;  Zhao, Li;  Chu, Tian-Shu
收藏  |  浏览/下载：11/0  |  提交时间：2015/11/16
Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives 期刊论文
theoretical chemistry accounts, 2013, 卷号: 133, 期号: 1, 页码: 1411
作者:  Chen, Jun-Sheng;  Liu, Run-Ze;  Yang, Yang;  Chu, Tian-Shu
收藏  |  浏览/下载：60/0  |  提交时间：2014/09/11
DFT Study on the NMR Chemical Shifts of Molecules Confined in Carbon Nanotubes 期刊论文
journal of physical chemistry c, 2013, 卷号: 117, 期号: 44, 页码: 23418-23424
作者:  Ren, Pengju;  Zheng, Anmin;  Pan, Xiulian;  Han, Xiuwen;  Bao, Xinhe
收藏  |  浏览/下载：18/0  |  提交时间：2014/09/11
Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study 期刊论文
journal of molecular structure, 2013, 卷号: 1032, 页码: 111-117
作者:  Sun, Zhang;  Tang, Zichao;  Gao, Zhen
收藏  |  浏览/下载：19/0  |  提交时间：2014/09/11
Reaction mechanism for methanol oxidation on Au(1 1 1): A density functional theory study 期刊论文
applied surface science, 2013, 卷号: 265, 页码: 443-451
作者:  Liu, Shuping;  Jin, Peng;  Zhang, Donghui;  Hao, Ce;  Yang, Xueming
收藏  |  浏览/下载：18/0  |  提交时间：2013/10/11
A Theoretical Study on the Mechanism of Photocatalytic Oxygen Evolution on BiVO4 in Aqueous Solution 期刊论文
chemistry-a european journal, 2013, 卷号: 19, 期号: 4, 页码: 1320-1326
作者:  Yang, Jingxiu;  Wang, Donge;  Zhou, Xin;  Li, Can
收藏  |  浏览/下载：6/0  |  提交时间：2013/10/11
Theoretical Study of Structure, Stability, and the Hydrolysis Reactions of Small Iridium Oxide Nanoclusters 期刊论文
journal of physical chemistry a, 2012, 卷号: 116, 期号: 40, 页码: 9985-9995
作者:  Zhou, Xin;  Yang, Jingxiu;  Li, Can
收藏  |  浏览/下载：11/0  |  提交时间：2013/10/11
Theoretical Study on Photoisomerization Effect with a Reversible Nonlinear Optical Switch for Dithiazolylarylene 期刊论文
journal of physical chemistry a, 2012, 卷号: 116, 期号: 22, 页码: 5392-5397
作者:  Song, Ping;  Gao, Ai-Hua;  Zhou, Pan-Wang;  Chu, Tian-Shu
收藏  |  浏览/下载：13/0  |  提交时间：2013/10/11

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