QQ客服 官方微博 反馈留言

浏览/检索结果: 共23条，第1-10条 帮助 限定条件 发表日期：2016    专题：西安交通大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Theoretical study of thermite reaction enthalpy for metal composite oxides of ferrite series 期刊论文 Huozhayao Xuebao/Chinese Journal of Explosives and Propellants, 2016, 卷号: 39, 期号: [db:dc_citation_issue] 作者:  Wang, Meng-Jie;  Chang, Chun-Ran;  Xu, Kang-Zhen;  Ma, Hai-Xia;  Zhao, Feng-Qi 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/02 Density functional theory  DFT  Metal composite oxides  Quantum chemistry  Thermite reaction   Decomposition mechanism of formic acid on Cu (111) surface: A theoretical study 期刊论文 Applied Surface Science, 2016, 期号: [db:dc_citation_issue] 作者:  Jiang, Zhao;  Qin, Pei;  Fang, Tao 收藏  |  浏览/下载：8/0  |  提交时间：2019/12/02 Cu(1 1 1)  Decomposition mechanism  Direct formic acid fuel cells  Formic acid decompositions  Minimum energy pathways  Periodic density functional theory calculations  Rate determining step  Transition metal surfaces   Theoretical study of NH3 decomposition on Pd-Cu (111) and Cu-Pd (111) surfaces: A comparison with clean Pd (111) and Cu (111) 期刊论文 APPLIED SURFACE SCIENCE, 2016, 卷号: 371, 期号: [db:dc_citation_issue], 页码: 337-342 作者:  Jiang, Zhao;  Qin, Pei;  Fang, Tao 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/02 Pd-Cu (111) and Cu-Pd (111)  Surfaces  Density functional theory  Dehydrogenation  Doping  Ammonia   Theoretical study of the neutral decomposition of SF6 in the presence of H2O and O-2 in discharges in power equipment 期刊论文 JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2016, 卷号: 49, 期号: [db:dc_citation_issue] 作者:  Fu, Yuwei;  Yang, Aijun;  Wang, Xiaohua;  Murphy, Anthony B.;  Li, Xi 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/02 SF6 decomposition processes  density functional theory  SF6 decomposition products  reaction rate constant  transition state theory   Tuning electronic transport of zigzag graphene nanoribbons by ordered B or N atom doping 期刊论文 JOURNAL OF COMPUTATIONAL ELECTRONICS, 2016, 卷号: 15, 期号: [db:dc_citation_issue], 页码: 891-897 作者:  Wang, Lihua;  Zhang, Zizhen;  Zhao, Jianguo;  Ding, Bingjun;  Guo, Yong 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/02 Doping  Non-equilibrium Green's function  Graphene nanoribbons  Negative differential resistance  Density functional theory   Effect of titanium on adsorption of hydrogen in beta-cyclodextrin 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1091, 期号: [db:dc_citation_issue], 页码: 165-168 作者:  Zhou, Caihua;  Guo, Yijun;  Zhu, Haiyan;  Fan, Guang 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/02 Hydrogen adsorption  Monte Carlo  beta-Cyclodextrin  Density functional theory   Cooperation among N, F and Fe in tri-doped TiO2 photocatalyst 期刊论文 RESEARCH ON CHEMICAL INTERMEDIATES, 2016, 卷号: 42, 期号: [db:dc_citation_issue], 页码: 6265-6287 作者:  Zhang, Yufei;  Shen, Huiyuan;  Liu, Yanhua 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/02 Cooperation of N, F and Fe  Light response performance  Density functional theory  Tri-doped TiO2  Photocatalytic activity   Regioselective Multistep Reconstructions of Half-Saturated Zigzag Carbon Nanotubes 期刊论文 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 卷号: 37, 期号: [db:dc_citation_issue], 页码: 1363-1366 作者:  Wang, Wei-Wei;  Dang, Jing-Shuang;  Zhao, Xiang;  Nagase, Shigeru 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/02 structural defects  carbon nanotubes  magnetic properties  reconstruction  density functional theory   Theoretical survey on M@C-80 (M = Ca, Sr, and Ba): Behavior of different alkaline earth metal impacting the chemical stability and electronic properties 期刊论文 CHEMICAL PHYSICS, 2016, 卷号: 474, 期号: [db:dc_citation_issue], 页码: 7-17 作者:  Cui, Jin-Bo;  Guo, Yi-Jun;  Li, Qiao-Zhi;  Zhao, Pei;  Zhao, Xiang 收藏  |  浏览/下载：6/0  |  提交时间：2019/12/02 Electronic properties  UV-visible-NIR spectra  Thermodynamic properties  Metallofullerenes  Density functional theory calculations   A theoretical study on the complete dehydrogenation of methanol on Pd (100) surface 期刊论文 APPLIED SURFACE SCIENCE, 2016, 卷号: 364, 期号: [db:dc_citation_issue], 页码: 613-619 作者:  Jiang, Zhao;  Wang, Bin;  Fang, Tao 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/02 Adsorption  Methanol  Pd (100) surface  Decomposition  Density functional theory