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Ab initio study of dynamical properties of U-Nb alloy melt* 期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 12, 页码: 8
作者:  Shi, Yong-Peng;  Liu, Ming-Feng;  Chen, Yun;  Mo, Wen-Lin;  Li, Dian-Zhong
收藏  |  浏览/下载:12/0  |  提交时间:2022/07/01
Barrierless HONO and HOS(O)2-NO2Formation via NH3-Promoted Oxidation of SO2by NO2 期刊论文
Journal of Physical Chemistry A, 2021, 卷号: 125, 期号: 12, 页码: 2666-2672
作者:  Wang, Guoying;  Ma, Shangrong;  Niu, Xiuli;  Chen, Xuefu;  Liu, Fengshuo
收藏  |  浏览/下载:11/0  |  提交时间:2022/02/17
Ab initio study of the molecular hydrogen occupancy in pure H-2 and binary H-2-THF clathrate hydrates 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 期号: 27, 页码: 17136-17143
作者:  Liu, Jinxiang;  Hou, Jian;  Xu, Jiafang;  Liu, Haiying;  Chen, Gang
收藏  |  浏览/下载:24/0  |  提交时间:2017/12/31
The structures and stability of silylenoids RBrSiLi2 (R=CH3, C(SiH3)(3)) 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 11, 页码: 1-7
作者:  Qi, Yuhua;  Xu, Chongjuan;  Geng, Bing;  He, Maoxia
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/17
Ab initio- and density-functional studies of conformational behaviour of N-formylmethionine in gaseous phase 期刊论文
Chemical Papers, 2014, 卷号: 68, 期号: 11, 页码: 1608-1620
作者:  Das, Gunajyoti*;  Mandal, Shilpi
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/27
Ab Initio Study of Structural, Electronic and Optical Properties of ZnHg(SCN)_4 Crystals 会议论文
作者:  PENG ZHANG;  CHAO ZHENG;  GUIWU LU;  YUE MA;  XINQIANG WANG
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/31
Half-metallic ferromagnetism in Ag-doped ZnO: An ab initio study 期刊论文
2012
Li, Ai-Yu; Li, Xiao-Dan; Lin, Qiu-Bao; Wu, Shun-Qing; Zhu, Zi-Zhong; 朱梓忠
收藏  |  浏览/下载:2/0  |  提交时间:2013/03/12
Mechanistic and kinetic study on the ozonolysis of n-butyl vinyl ether, i-butyl vinyl ether and t-butyl vinyl ether 期刊论文
Chemosphere: Environmental toxicology and risk assessment, 2012, 卷号: 88, 期号: 10, 页码: 1235-1240
作者:  Dandan Han;  Haijie Cao;  Yanhui Sun;  Ruilian Sun;  Maoxia He
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/23
Ab initio Study on the Structural Stability and Magnetism of Metastable A(3)B Phases in Ni-Au (Cu, Zn, Al) Binary Systems 期刊论文
2010, 2010
Che, Xing-Lai; Li, Jia-Hao; Dai, Ye; Liu, Bai-Xin
收藏  |  浏览/下载:144/0
Structural stability and magnetism of metastable Ni-Pt intermetallic compounds studied by ab initio calculation 期刊论文
2010, 2010
Che XingLai; Li JiaHao; Dai Ye; Liu BaiXin
收藏  |  浏览/下载:2/0


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