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A new NMR crystallographic approach to reveal the calcium local structure of atorvastatin calcium 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 12, 页码: 6319-6326
Authors:  Holmes, Sean T.;  Wang, Wei D.;  Hou, Guangjin;  Dybowski, Cecil;  Wang, Wei;  Bai, Shi
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A Multiplex Fragment-Ion-Based Method for Accurate Proteome Quantification 期刊论文
ANALYTICAL CHEMISTRY, 2019, 卷号: 91, 期号: 6, 页码: 3921-3928
Authors:  Liu, Jianhui;  Zhou, Yuan;  Shan, Yichu;  Zhao, Baofeng;  Hu, Yechen;  Sui, Zhigang;  Liang, Zhen;  Zhang, Lihua;  Zhang, Yukui
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Performance of time-dependent density functional theory on twisted intramolecular charge transfer state of emerging visible light photoswitches 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2019, 卷号: 371, 页码: 336-340
Authors:  Liu, Yan;  Luo, Jian
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Molecular motor  Molecular machine  Photoisomerization  Hula twist  Benchmark  
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
Authors:  Zhou, Panwang
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ADC(2)  cyanine dyes  rhodamine dyes  TDDFT  XMCQDPT2  
Hollow cobalt phosphide octahedral pre-catalysts with exceptionally high intrinsic catalytic activity for electro-oxidation of water and methanol 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 42, 页码: 20646-20652
Authors:  Xu, Junyuan;  Liu, Yuefeng;  Li, Junjie;  Amorim, Isilda;  Zhang, Bingsen;  Xiong, Dehua;  Zhang, Nan;  Thalluri, Sitaramanjaneya Mouli;  Sousa, Juliana P. S.;  Liu, Lifeng
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Nickel Sulfides Decorated SiC Foam for the Low Temperature Conversion of H2S into Elemental Sulfur 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 7, 页码: 15
Authors:  Cuong Duong-Viet;  Lam Nguyen-Dinh;  Liu, Yuefeng;  Tuci, Giulia;  Giambastiani, Giuliano;  Cuong Pham-Huu
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silicon carbide  H2S oxidation  low-temperature  catalysis  nickel sulfide  
Li7Cd4.5Ge4Se16 and Li6.4Cd4.8Sn4Se16: Strong Nonlinear Optical Response in Quaternary Diamond-Like Selenide Networks 期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2018, 卷号: 13, 期号: 7, 页码: 871-876
Authors:  Guo, Yangwu;  Li, Xiaoshuang;  Feng, Kai;  Li, Chao;  Zhou, Molin;  Wu, Yicheng;  Yao, Jiyong
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Crystal Growth  Metal Chalcogenides  Nonlinear Optics  Selenides  Structure-activity Relationships  
A 3D Covalent Organic Framework with Exceptionally High Iodine Capture Capability 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2018, 卷号: 24, 期号: 3, 页码: 585-589
Authors:  Wang, Chang;  Wang, Yu;  Ge, Rile;  Song, Xuedan;  Xing, Xueqing;  Jiang, Qike;  Lu, Hui;  Hao, Ce;  Guo, Xinwen;  Gao, Yanan;  Jiang, Donglin
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Adsorbent  Covalent Organic Framework  Iodine  Nuclear Energy  Porous Materials  
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
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Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
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Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients