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Sensing mechanism for a fluorescent off-on chemosensor for cyanide anion 期刊论文
JOURNAL OF LUMINESCENCE, 2016, 卷号: 179, 页码: 203-210
作者:  Chen, Junsheng;  Li, Yang;  Chu, Tian-Shu
收藏  |  浏览/下载:130/0  |  提交时间:2019/06/20
Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464
作者:  Chung, Lung Wa;  Li, Xin;  Li, Guohui
收藏  |  浏览/下载:19/0  |  提交时间:2019/06/20
Theoretical study of disorder-order transition of sodium borohydride 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2016, 卷号: 124, 页码: 87-91
作者:  Dong, Ya-Ru;  Jiang, Zhen-Yi;  Zhang, Xiao-Dong;  Song, Qi;  Zhou, Bo
收藏  |  浏览/下载:19/0  |  提交时间:2018/05/31
Sensing mechanism for a fluorescent off-on chemosensor for cyanide anion 期刊论文
Journal of luminescence, 2016, 卷号: 179, 页码: 203-210
作者:  Li, Yang;  Chen, Junsheng;  Chu, Tian-Shu
收藏  |  浏览/下载:113/0  |  提交时间:2019/05/09
Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation 期刊论文
JOURNAL OF LUMINESCENCE, 2016, 卷号: 177, 页码: 197-203
作者:  Qu, Zongjin;  Li, Peng;  Zhang, Xuexiang;  Wang, Endong;  Wang, Yanni
收藏  |  浏览/下载:31/0  |  提交时间:2019/06/20
Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 4, 页码: 453-461
作者:  Fan, Hong-jun;  Li, Lu;  Hu, Hao-quan
收藏  |  浏览/下载:12/0  |  提交时间:2019/06/20
Excited state proton transfer coupled with twisted intermolecular charge transfer for N,N-dimethylanilino-1,3-diketone in high polar acetonitrile solvent 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 220, 页码: 735-741
作者:  Zhao, Jinfeng;  Yang, Yang
收藏  |  浏览/下载:22/0  |  提交时间:2019/06/20
The effect of Cu2+ chelation on the direct photolysis of oxytetracycline: A study assisted by spectroscopy analysis and DFT calculation 期刊论文
ENVIRONMENTAL POLLUTION, 2016, 卷号: 214, 期号: 0, 页码: 831-839
作者:  Jin, Xin;  Qiu, Shanshan;  Wu, Ke;  Jia, Mingyun;  Wang, Fang
收藏  |  浏览/下载:15/0  |  提交时间:2017/03/27
Validation of polarizable force field parameters for nucleic acids by inter-molecular interactions 期刊论文
FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING, 2016, 卷号: 10, 期号: 2, 页码: 203-212
作者:  Cao, Liaoran;  Ren, Hong;  Miao, Jing;  Guo, Wei;  Li, Yan
收藏  |  浏览/下载:15/0  |  提交时间:2019/06/20
Performance of density functional theory on the anisotropic halogen center dot center dot center dot halogen interactions and potential energy surface: Problems and possible solutions 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 期号: 9, 页码: 710-717
作者:  Liu, Fang;  Du, Likai;  Zhang, Dongju;  Gao, Jun
收藏  |  浏览/下载:18/0  |  提交时间:2016/07/12


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