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The Mechanism of Carbon Monoxide-Induced N-N Bond Cleavage of Nitrous Oxide via Mo(Ⅱ)/Mo(Ⅳ) Catalytic Cycle: A DFT Study 会议论文
北京, 2013-7-1
作者:  Hujun Xie[1];  Furong Lin[1];  Zexing Cao[1]
收藏  |  浏览/下载:6/0  |  提交时间:2019/12/26
Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 卷号: 15, 期号: 26, 页码: 10777-10782
作者:  Guo, Xugeng;  Lan, Zhenggang;  Cao, Zexing
收藏  |  浏览/下载:24/0  |  提交时间:2014/03/21
THE MECHANISM OF CARBON MONOXIDE-INDUCED N-N BOND CLEAVAGE OF NITROUS OXIDE VIA MO(Ⅱ)/MO(Ⅳ) CATALYTIC CYCLE: A DFT STUDY 会议论文
北京, 2013年7月1日
作者:  HUJUN XIE[1];  FURONG LIN[1];  ZEXING CAO[2]
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/30
Electronic and optical properties of the triphenylamine-based organic dye sensitized TiO2 semiconductor: insight from first principles calculations 期刊论文
2013, 卷号: 15, 期号: 33, 页码: 13844-13851
作者:  Liang, Jinxia;  Zhu, Chun;  Cao, Zexing
收藏  |  浏览/下载:6/0  |  提交时间:2019/12/28
Unique Metal Dicorrole Dyes with Excellent Photoelectronic Properties for Solar Cells: Insight from Density Functional Calculations 期刊论文
2013, 卷号: 117, 期号: 26, 页码: 13388-13395
作者:  Zhu, Chun;  Liang, Jinxia;  Cao, Zexing
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/28
Unique Metal Di-Porphyrin Dyes with Excellent Photoelectronic Properties for Solar Cells: Insight from Density Functional Calculations 期刊论文
2013, 卷号: 71, 期号: 11, 页码: 1527-1534
作者:  Zhu Chun;  Cao Zexing
收藏  |  浏览/下载:5/0  |  提交时间:2019/12/28


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