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Dissociation mechanisms of HFO-1336mzz(Z) on Cu(111), Cu(110) and Cu(100) surfaces: A density functional theory study 期刊论文
2018, 卷号: 443, 页码: 389-400
作者:  Huo, Erguang[1];  Liu, Chao[1];  Xu, Xiaoxiao[1];  Li, Qibin[2];  Dang, Chaobin[3]
收藏  |  浏览/下载:12/0  |  提交时间:2019/11/28
Geometric structure and SOF2 adsorption behavior of Pt-n (n=1-4) clustered (8,0) single-walled CNT using density functional theory 期刊论文
2018, 卷号: 211, 页码: 148-153
作者:  Cui, Hao[1];  Zhang, Xiaoxing[1,2];  Chen, Dachang[2];  Tang, Ju[2]
收藏  |  浏览/下载:6/0  |  提交时间:2019/11/28
Carbon-chain inserting effect on electronic behavior of single-walled carbon nanotubes: a density functional theory study 期刊论文
2018, 卷号: 8, 页码: 189-193
作者:  Cui, Hao[1];  Li, Qingjuan[2];  Qiu, Guibao[2];  Wang, Jian[2]
收藏  |  浏览/下载:14/0  |  提交时间:2019/11/28
Wrinkle- and Edge-Adsorption of Aromatic Compounds on Graphene Oxide as Revealed by Atomic Force Microscopy, Molecular Dynamics Simulation, and Density Functional Theory 期刊论文
2018, 卷号: 52, 页码: 7689-7697
作者:  Tang, Huan[1,2,3];  Zhao, Ying[1,2];  Shan, Sujie[1,2];  Yang, Xiaonan[1,2];  Liu, Dongmei[1,2]
收藏  |  浏览/下载:18/0  |  提交时间:2019/11/30


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