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First-principles calculations of sulphur isotope fractionation in MX2 minerals, with M = Fe, Co, Ni and X-2 = AsS, SbS 期刊论文
CHEMICAL GEOLOGY, 2016, 卷号: 441, 页码: 204-211
作者:  Liu, Shanqi;  Li, Yongbing;  Gong, Hujun;  Chen, Caiyun;  Liu, Jianming
收藏  |  浏览/下载:24/0  |  提交时间:2017/11/21
Unveiling self-sensitized photodegradation pathways by DPT calculations: A case of sunscreen p-aminobenzoic acid 期刊论文
CHEMOSPHERE, 2016, 卷号: 163, 页码: 227-233
作者:  Zhang, Siyu;  Chen, Jingwen;  Zhao, Qing;  Xie, Qing;  Wei, Xiaoxuan
收藏  |  浏览/下载:16/0  |  提交时间:2016/12/02
Electronic structure and optical property studies of wurtzite AgInS2 doped by tin 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 卷号: 678, 页码: 439-443
作者:  Yin, Jianbo;  Lu, Xuefeng;  Dong, Qizheng
收藏  |  浏览/下载:8/0  |  提交时间:2019/11/15
DFT Studies of the Selective C-O Hydrogenolysis and Ring-Opening of Biomass-Derived Tetrahydrofurfuryl Alcohol over Rh(111) surfaces 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 34, 页码: 19124-19134
作者:  Guan, Jing;  Li, Jing;  Yu, Yifeng;  Mu, Xindong;  Chen, Aibing
收藏  |  浏览/下载:11/0  |  提交时间:2016/11/14
Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions 期刊论文
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2016, 卷号: 407, 页码: 118-125
作者:  Wang, Peng;  Cao, Guo-Jin;  Xu, Hong-Guang;  Xu, Xi-Ling;  Zheng, Wei-Jun
收藏  |  浏览/下载:15/0  |  提交时间:2019/06/20
Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions 期刊论文
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2016, 卷号: 407, 页码: 118-125
作者:  Cao, Guo-Jin;  Xu, Hong-Guang;  Xu, Xi-Ling;  Wang, Peng;  Zheng, Wei-Jun
收藏  |  浏览/下载:15/0  |  提交时间:2016/12/29
Formation of coronene clusters in concentration and temperature controlled two-dimensional porous network 期刊论文
Acs applied materials & interfaces, 2016, 卷号: 8, 期号: 32, 页码: 21095-21100
作者:  Dai, Hongliang;  Yi, Wenjing;  Deng, Ke;  Wang, Hua;  Zeng, Qingdao
收藏  |  浏览/下载:33/0  |  提交时间:2019/05/09
Phosphine/phenylacetylide-ligated Au clusters for multicomponent coupling reactions 期刊论文
JOURNAL OF CATALYSIS, 2016, 卷号: 340, 页码: 287-294
作者:  Haruta, Masatake;  Li, Gao;  Chen, Yongdong;  Liu, Chao;  Abroshan, Hadi
收藏  |  浏览/下载:18/0  |  提交时间:2019/06/20
Thieno[3,4-c]Pyrrole-4,6-Dione and Dithiophene-Based Conjugated Polymer for Organic Field Effect Transistors: High Mobility Induced by Synergic Effect of H-Bond and Vinyl Linkage 期刊论文
MACROMOLECULAR RAPID COMMUNICATIONS, 2016, 卷号: 37, 期号: 16, 页码: 1357-1363
作者:  Qing, Wanmei;  Gong, Xiaodi;  Liang, Xianfeng;  Wang, Yuancheng;  Yang, Sifen
收藏  |  浏览/下载:20/0  |  提交时间:2016/12/29
Zirconia (ZrO2) Embedded in Carbon Nanowires via Electrospinning for Efficient Arsenic Removal from Water Combined with DFT Studies 期刊论文
ACS Applied Materials & Interfaces, 2016, 卷号: 8, 期号: 29, 页码: 18912-18921
作者:  Luo, Jinming;  Qu, Jiuhui;  Luo, Xubiao;  Crittenden, John C.;  Hu, Chengzhi
收藏  |  浏览/下载:18/0  |  提交时间:2017/04/01


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