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The adsorption of α-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study 期刊论文
Journal of Chemical Physics, 2014, 卷号: 141, 期号: 23
作者:  Ma, Jin-Gang;  Zhang, Cai-Rong;  Gong, Ji-Jun;  Yang, Bing;  Zhang, Hai-Min
收藏  |  浏览/下载:11/0  |  提交时间:2020/11/14
The adsorption of alpha-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 23
作者:  Ma, Jin-Gang;  Zhang, Cai-Rong;  Gong, Ji-Jun;  Yang, Bing;  Zhang, Hai-Min
收藏  |  浏览/下载:7/0  |  提交时间:2019/11/15
Crystal Structure and Tautomerism Study of the Mono-protonated Metformin Salt 期刊论文
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2014, 卷号: 35, 期号: 12, 页码: 3495-3501
作者:  Wei, Xiaodan;  Fan, Yuhua;  Bi, Caifeng;  Yan, Xingchen;  Zhang, Xia
收藏  |  浏览/下载:123/0  |  提交时间:2015/11/02
Photoinduced excited state intramolecular proton transfer of 2-(2 '-hydroxyphenyl)phenanthro[9,10-d]oxazole: A comprehensive theoretical study 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2014, 卷号: 294, 页码: 14-19
作者:  Wang, Li;  Zhang, Yanxin;  Li, Yuanyuan;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载:17/0  |  提交时间:2015/06/24
Photoelectron spectroscopy and density functional theory study of Bi2Aln- (n=1-4) clusters 期刊论文
chemical physics letters, 2014, 卷号: 615, 页码: 56-61
作者:  Sun, Zhang;  Xu, Hong-Guang;  Feng, Gang;  Xu, Xi-Ling;  Zheng, Wei-Jun
收藏  |  浏览/下载:27/0  |  提交时间:2015/11/17
Structural Evolution of Homoleptic Heterodinuclear Copper-Nickel Carbonyl Anions Revealed Using Photoelectron Velocity-Map Imaging 期刊论文
inorganic chemistry, 2014, 卷号: 53, 期号: 20, 页码: 10909-10916
作者:  Liu, Zhiling;  Xie, Hua;  Qin, Zhengbo;  Fan, Hongjun;  Tang, Zichao
收藏  |  浏览/下载:23/0  |  提交时间:2015/11/16
First-principles investigation of the vacancy effect on the electronic properties in M2AlC(M = V and Nb) 期刊论文
AIP ADVANCES, 2014, 卷号: 4
作者:  Liu Kun;  Qi Yuan;  Duan Ji-Zheng
收藏  |  浏览/下载:11/0  |  提交时间:2018/07/05
The mechanism and dynamic studies for the reactions of OH radical with CH3-nFnOCF2CHFCl (n=0, 1, and 2) 期刊论文
JOURNAL OF FLUORINE CHEMISTRY, 2014, 卷号: 164, 页码: 1-9
作者:  Wang, Li;  Wen, Jinmiao;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载:15/0  |  提交时间:2015/06/24
Mechanisms of the PtCl2-Catalyzed Intramolecular Cyclization of o-Isopropyl-Substituted Aryl Alkynes for the Synthesis of Indenes and Comparison of Three sp(3) C-H Bond Activation Modes 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2014, 卷号: 79, 期号: 12, 页码: 5684-5696
作者:  Wang, Yi;  Liao, Wei;  Huang, Genping;  Xia, Yuanzhi;  Yu, Zhi-Xiang
收藏  |  浏览/下载:20/0  |  提交时间:2019/06/20
Framework Stability and Bronsted Acidity of Isomorphously Substituted Interlayer-Expanded Zeolite COE-4: A Density Functional Theory Study 期刊论文
chemphyschem, 2014, 卷号: 15, 期号: 8, 页码: 1700-1707
作者:  Li, Haichao;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan;  Mueller, Ulrich
收藏  |  浏览/下载:29/0  |  提交时间:2015/11/16


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